updated to datasets 4.*
Browse files- README.md +10 -13
- data.csv +0 -0
- toxicity.py +0 -1280
- toxicity/train.csv +0 -0
README.md
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---
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tags:
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- toxicity
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- tabular_classification
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- binary_classification
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- multiclass_classification
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- UCI
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pretty_name: Toxicity
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size_categories:
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- n<1K
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task_categories:
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- tabular-classification
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configs:
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- encoding
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- income
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- income-no race
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- race
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license: cc
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---
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# Adult
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The [Toxicity dataset](https://archive-beta.ics.uci.edu/dataset/728/toxicity) from the [UCI ML repository](https://archive.ics.uci.edu/ml/datasets).
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---
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configs:
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- config_name: toxicity
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data_files:
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- path: toxicity/train.csv
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split: train
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default: true
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language: en
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license: cc
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pretty_name: Toxicity
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size_categories: 1M<n<10M
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tags:
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- tabular_classification
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- binary_classification
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- multiclass_classification
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task_categories:
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- tabular-classification
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---
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# Adult
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The [Toxicity dataset](https://archive-beta.ics.uci.edu/dataset/728/toxicity) from the [UCI ML repository](https://archive.ics.uci.edu/ml/datasets).
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data.csv
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The diff for this file is too large to render.
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toxicity.py
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from typing import List
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import datasets
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import pandas
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import gzip
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VERSION = datasets.Version("1.0.0")
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DESCRIPTION = "Toxicity dataset from the UCI ML repository."
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_HOMEPAGE = "https://archive-beta.ics.uci.edu/dataset/728/toxicity"
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_URLS = ("https://archive-beta.ics.uci.edu/dataset/728/toxicity")
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_CITATION = """"""
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# Dataset info
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urls_per_split = {
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"train": "https://huggingface.co/datasets/mstz/toxicity/raw/main/data.csv"
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}
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_BASE_FEATURE_NAMES = [
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"MATS3v",
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"nHBint10",
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"MATS3s",
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"MATS3p",
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"nHBDon_Lipinski",
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| 28 |
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"minHBint8",
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| 29 |
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"MATS3e",
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| 30 |
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"MATS3c",
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| 31 |
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"minHBint2",
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| 32 |
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"MATS3m",
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| 33 |
-
"minHBint6",
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| 34 |
-
"minHBint7",
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| 35 |
-
"minHBint4",
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| 36 |
-
"MATS3i",
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| 37 |
-
"VR3_Dt",
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| 38 |
-
"SpMax8_Bhi",
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| 39 |
-
"SdsN",
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| 40 |
-
"SpMax8_Bhm",
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| 41 |
-
"SpMax8_Bhe",
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| 42 |
-
"ECCEN",
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| 43 |
-
"MDEC-14",
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| 44 |
-
"SpMax8_Bhs",
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| 45 |
-
"SpMax8_Bhp",
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| 46 |
-
"SpMax8_Bhv",
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| 47 |
-
"MDEC-11",
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| 48 |
-
"MDEC-12",
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| 49 |
-
"MDEC-13",
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| 50 |
-
"VR2_Dt",
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| 51 |
-
"BIC5",
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| 52 |
-
"ATS7s",
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| 53 |
-
"ATS7p",
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| 54 |
-
"ATS7v",
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| 55 |
-
"ATS7i",
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| 56 |
-
"ATS7m",
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| 57 |
-
"ATS7e",
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| 58 |
-
"mintN",
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| 59 |
-
"nHsNH2",
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| 60 |
-
"khs.sssCH",
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| 61 |
-
"minHBint3",
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| 62 |
-
"maxdssC",
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| 63 |
-
"nT6Ring",
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| 64 |
-
"minHBint5",
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| 65 |
-
"nF8Ring",
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| 66 |
-
"minssCH2",
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| 67 |
-
"SpMax_DzZ",
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| 68 |
-
"ETA_EtaP",
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| 69 |
-
"nHsOH",
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| 70 |
-
"SpMin1_Bhe",
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| 71 |
-
"maxHother",
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| 72 |
-
"nHBAcc_Lipinski",
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| 73 |
-
"StN",
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| 74 |
-
"khs.aaS",
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| 75 |
-
"khs.aaO",
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| 76 |
-
"khs.aaN",
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| 77 |
-
"Sare",
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| 78 |
-
"SHAvin",
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| 79 |
-
"SpMax3_Bhv",
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| 80 |
-
"SpMax3_Bhp",
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| 81 |
-
"SpMax3_Bhs",
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| 82 |
-
"SpMax3_Bhe",
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| 83 |
-
"SpMin6_Bhi",
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| 84 |
-
"SpMax3_Bhm",
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| 85 |
-
"SpMax3_Bhi",
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| 86 |
-
"ETA_EtaP_F_L",
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| 87 |
-
"mindCH2",
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| 88 |
-
"AATSC2e",
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| 89 |
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"AATSC2c",
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| 90 |
-
"AATSC2m",
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| 91 |
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"AATSC2i",
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| 92 |
-
"nsBr",
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| 93 |
-
"AATS5p",
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| 94 |
-
"AATSC2v",
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| 95 |
-
"AATSC2p",
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| 96 |
-
"AATSC2s",
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| 97 |
-
"VABC",
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| 98 |
-
"maxdNH",
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| 99 |
-
"khs.ddsN",
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-
"RotBtFrac",
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-
"ATS4e",
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"ATS4m",
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"nFRing",
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"ATS4i",
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"EE_DzZ",
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"ATS4s",
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"ATS4p",
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"ETA_Alpha",
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"khs.sssN",
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"EE_Dzi",
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"MAXDN",
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| 112 |
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"EE_Dzm",
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-
"EE_Dze",
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"EE_Dzs",
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"EE_Dzp",
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| 116 |
-
"EE_Dzv",
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| 117 |
-
"ATS8e",
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| 118 |
-
"maxsOH",
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| 119 |
-
"minssssNp",
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| 120 |
-
"maxsOm",
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| 121 |
-
"MDEC-23",
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| 122 |
-
"MDEC-22",
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| 123 |
-
"MDEC-24",
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| 124 |
-
"nFG12HeteroRing",
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| 125 |
-
"ATS8s",
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| 126 |
-
"ATS8v",
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| 127 |
-
"SP-6",
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| 128 |
-
"SP-7",
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| 129 |
-
"SHsNH2",
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| 130 |
-
"SP-5",
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| 131 |
-
"SP-2",
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| 132 |
-
"SP-3",
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| 133 |
-
"SP-0",
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-
"SP-1",
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-
"minHsOH",
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| 136 |
-
"ATSC8v",
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-
"MATS2v",
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-
"ATSC8s",
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| 139 |
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"MATS2p",
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"MATS2s",
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| 141 |
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"ATSC8p",
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"MATS2e",
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"ATSC8e",
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"ATSC8c",
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"MATS2c",
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"MATS2m",
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"topoDiameter",
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"ATSC8m",
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| 149 |
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"MATS2i",
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| 150 |
-
"ATSC8i",
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"ntN",
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| 152 |
-
"khs.ssCH2",
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"SpAD_Dt",
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| 154 |
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"ETA_Eta_R_L",
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"SHdsCH",
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"SaasN",
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"SC-4",
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| 158 |
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"SaasC",
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| 159 |
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"minaaCH",
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| 160 |
-
"AATSC3c",
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"AATSC3e",
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| 162 |
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"AATSC3i",
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"AATSC3m",
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"AATSC3s",
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"AATSC3p",
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"AATSC3v",
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"SpMax2_Bhp",
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"nF8HeteroRing",
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"AATS8e",
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"AATS8i",
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"AATS8m",
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"AATS8s",
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"AATS8p",
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"AATS8v",
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| 175 |
-
"VE3_Dt",
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| 176 |
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"XLogP",
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| 177 |
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"SpMax2_Bhi",
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| 178 |
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"maxssCH2",
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| 179 |
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"minaaS",
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| 180 |
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"SpMax4_Bhv",
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| 181 |
-
"SpMax4_Bhs",
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| 182 |
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"SpMax4_Bhp",
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| 183 |
-
"SpMax4_Bhm",
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| 184 |
-
"minHaaNH",
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| 185 |
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"SpMax4_Bhi",
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| 186 |
-
"minaaN",
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| 187 |
-
"SpMax4_Bhe",
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| 188 |
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"StsC",
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| 189 |
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"SssCH2",
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| 190 |
-
"maxHdNH",
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| 191 |
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"MATS1p",
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| 192 |
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"R_TpiPCTPC",
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| 193 |
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"MATS1s",
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| 194 |
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"MATS1v",
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| 195 |
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"JGI10",
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| 196 |
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"MATS1c",
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| 197 |
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"MATS1e",
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| 198 |
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"VR2_DzZ",
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| 199 |
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"MATS1i",
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| 200 |
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"MATS1m",
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| 201 |
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"MDEC-34",
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| 202 |
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"MDEC-33",
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| 203 |
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"VR2_Dze",
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| 204 |
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"VR2_Dzm",
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| 205 |
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"VR2_Dzs",
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| 206 |
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"VR2_Dzp",
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| 207 |
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"khs.ssssC",
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| 208 |
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"nTG12Ring",
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| 209 |
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"khs.ssssN",
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| 210 |
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"ATS5e",
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| 211 |
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"gmin",
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| 212 |
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"VR2_D",
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| 213 |
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"ATS5m",
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| 214 |
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"ATS5p",
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| 215 |
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"ATS5s",
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| 216 |
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"ATS5v",
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| 217 |
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"AATSC5p",
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| 218 |
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"TpiPC",
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| 219 |
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"maxsCH3",
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| 220 |
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"SdS",
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| 221 |
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"khs.ssO",
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| 222 |
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"ETA_Eta_F_L",
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| 223 |
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"khs.ssS",
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| 224 |
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"SdO",
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| 225 |
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"VE2_Dt",
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| 226 |
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"maxHtCH",
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| 227 |
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"SpMax_Dze",
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| 228 |
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"SpMax_Dzm",
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| 229 |
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"SpMax_Dzi",
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| 230 |
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"ETA_dEpsilon_B",
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| 231 |
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"SpMax_Dzv",
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| 232 |
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"ETA_dEpsilon_A",
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| 233 |
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"SpMax_Dzs",
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| 234 |
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"ETA_dEpsilon_D",
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| 235 |
-
"SpMax_Dzp",
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| 236 |
-
"SsNH2",
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| 237 |
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"StCH",
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| 238 |
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"SsCH3",
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| 239 |
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"CIC5",
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| 240 |
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"CIC4",
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| 241 |
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"CIC1",
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| 242 |
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"CIC0",
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| 243 |
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"CIC3",
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| 244 |
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"CIC2",
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| 245 |
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"nF10HeteroRing",
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| 246 |
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"maxssO",
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| 247 |
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"WPOL",
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| 248 |
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"n5HeteroRing",
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| 249 |
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"maxHAvin",
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| 250 |
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"fragC",
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| 251 |
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"ETA_Eta_B_RC",
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| 252 |
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"AATS7m",
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| 253 |
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"SpDiam_Dt",
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| 254 |
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"SdssC",
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| 255 |
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"ETA_Epsilon_3",
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| 256 |
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"AATS7i",
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| 257 |
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"AATS7e",
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| 258 |
-
"nT9Ring",
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| 259 |
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"minsCl",
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| 260 |
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"AATS7v",
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| 261 |
-
"AATS7s",
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| 262 |
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"AATS7p",
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| 263 |
-
"nHdCH2",
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| 264 |
-
"ETA_Epsilon_5",
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| 265 |
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"ETA_Epsilon_4",
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| 266 |
-
"SsssCH",
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| 267 |
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"maxHsOH",
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| 268 |
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"GATS1v",
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| 269 |
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"maxaaaC",
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| 270 |
-
"GATS1s",
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| 271 |
-
"minsNH2",
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| 272 |
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"BIC4",
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| 273 |
-
"SpMin7_Bhs",
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| 274 |
-
"SpMin7_Bhp",
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| 275 |
-
"SpMin7_Bhv",
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| 276 |
-
"nHtCH",
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| 277 |
-
"GATS1e",
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| 278 |
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"mintsC",
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| 279 |
-
"GATS1c",
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| 280 |
-
"SpMin7_Bhm",
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| 281 |
-
"GATS1m",
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| 282 |
-
"SpMin7_Bhe",
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| 283 |
-
"GATS1i",
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| 284 |
-
"maxtsC",
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| 285 |
-
"minHAvin",
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| 286 |
-
"MDEC-44",
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| 287 |
-
"AATS2v",
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| 288 |
-
"SPC-6",
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| 289 |
-
"SPC-4",
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| 290 |
-
"SPC-5",
|
| 291 |
-
"SpAD_D",
|
| 292 |
-
"MATS6c",
|
| 293 |
-
"ETA_BetaP_s",
|
| 294 |
-
"minaasC",
|
| 295 |
-
"minaasN",
|
| 296 |
-
"minssNH",
|
| 297 |
-
"nT7HeteroRing",
|
| 298 |
-
"RotBFrac",
|
| 299 |
-
"nF10Ring",
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| 300 |
-
"ETA_BetaP_ns",
|
| 301 |
-
"nH",
|
| 302 |
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"nL",
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| 303 |
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"nN",
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| 304 |
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"nO",
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| 305 |
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"nA",
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| 306 |
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"nC",
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| 307 |
-
"nF",
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| 308 |
-
"nX",
|
| 309 |
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"nQ",
|
| 310 |
-
"nS",
|
| 311 |
-
"nV",
|
| 312 |
-
"ATS1m",
|
| 313 |
-
"SdNH",
|
| 314 |
-
"mindsN",
|
| 315 |
-
"SHCsats",
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| 316 |
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"SHCsatu",
|
| 317 |
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"CrippenMR",
|
| 318 |
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"GATS1p",
|
| 319 |
-
"SRW10",
|
| 320 |
-
"ETA_dPsi_A",
|
| 321 |
-
"AATS6m",
|
| 322 |
-
"AATS6i",
|
| 323 |
-
"AATS6e",
|
| 324 |
-
"minsBr",
|
| 325 |
-
"nF9HeteroRing",
|
| 326 |
-
"SpMin7_Bhi",
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| 327 |
-
"AATS6v",
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| 328 |
-
"AATS6p",
|
| 329 |
-
"AATS6s",
|
| 330 |
-
"naAromAtom",
|
| 331 |
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"nBase",
|
| 332 |
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"minHBint10",
|
| 333 |
-
"SpDiam_DzZ",
|
| 334 |
-
"SaaNH",
|
| 335 |
-
"nssssC",
|
| 336 |
-
"khs.dNH",
|
| 337 |
-
"maxaaN",
|
| 338 |
-
"maxaaO",
|
| 339 |
-
"SpDiam_Dzv",
|
| 340 |
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"SpDiam_Dzs",
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| 341 |
-
"SpDiam_Dzp",
|
| 342 |
-
"SpDiam_Dze",
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| 343 |
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"SpDiam_Dzm",
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| 344 |
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"GATS6i",
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| 345 |
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"SpDiam_Dzi",
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| 346 |
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"Mi",
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| 347 |
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"Mv",
|
| 348 |
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"Mp",
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| 349 |
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"GGI10",
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| 350 |
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"nBr",
|
| 351 |
-
"bpol",
|
| 352 |
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"MW",
|
| 353 |
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"GATS6v",
|
| 354 |
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"MATS7s",
|
| 355 |
-
"MATS7p",
|
| 356 |
-
"C1SP1",
|
| 357 |
-
"MATS7v",
|
| 358 |
-
"MATS7i",
|
| 359 |
-
"MATS7m",
|
| 360 |
-
"MATS7c",
|
| 361 |
-
"GATS6s",
|
| 362 |
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"MATS7e",
|
| 363 |
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"maxtN",
|
| 364 |
-
"SpMin8_Bhe",
|
| 365 |
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"SpMin8_Bhi",
|
| 366 |
-
"SpMin8_Bhm",
|
| 367 |
-
"SpMin8_Bhp",
|
| 368 |
-
"SpMin8_Bhs",
|
| 369 |
-
"SpMin8_Bhv",
|
| 370 |
-
"maxHCsatu",
|
| 371 |
-
"maxHCsats",
|
| 372 |
-
"ATSC3v",
|
| 373 |
-
"ATSC3s",
|
| 374 |
-
"ATSC3p",
|
| 375 |
-
"minHdCH2",
|
| 376 |
-
"ATSC3e",
|
| 377 |
-
"ATSC3c",
|
| 378 |
-
"maxssNH",
|
| 379 |
-
"ATSC3m",
|
| 380 |
-
"ATSC3i",
|
| 381 |
-
"minHCsatu",
|
| 382 |
-
"minHCsats",
|
| 383 |
-
"SpMax7_Bhe",
|
| 384 |
-
"SpMax7_Bhi",
|
| 385 |
-
"SpMax7_Bhm",
|
| 386 |
-
"ETA_BetaP_ns_d",
|
| 387 |
-
"SpMax7_Bhp",
|
| 388 |
-
"SpMax7_Bhs",
|
| 389 |
-
"SpMax7_Bhv",
|
| 390 |
-
"SdsCH",
|
| 391 |
-
"minssO",
|
| 392 |
-
"minssS",
|
| 393 |
-
"SpMin3_Bhe",
|
| 394 |
-
"SpMin3_Bhm",
|
| 395 |
-
"SpMin3_Bhi",
|
| 396 |
-
"SpMin3_Bhv",
|
| 397 |
-
"nT8Ring",
|
| 398 |
-
"SpMin3_Bhs",
|
| 399 |
-
"SpMin3_Bhp",
|
| 400 |
-
"TPC",
|
| 401 |
-
"khs.tCH",
|
| 402 |
-
"VP-5",
|
| 403 |
-
"VP-4",
|
| 404 |
-
"VP-7",
|
| 405 |
-
"VP-6",
|
| 406 |
-
"VP-1",
|
| 407 |
-
"VP-0",
|
| 408 |
-
"VP-3",
|
| 409 |
-
"VP-2",
|
| 410 |
-
"MIC5",
|
| 411 |
-
"MIC4",
|
| 412 |
-
"MIC3",
|
| 413 |
-
"MIC2",
|
| 414 |
-
"MIC1",
|
| 415 |
-
"MIC0",
|
| 416 |
-
"ATSC5p",
|
| 417 |
-
"piPC10",
|
| 418 |
-
"ATSC5s",
|
| 419 |
-
"minsOm",
|
| 420 |
-
"nT10HeteroRing",
|
| 421 |
-
"nHBa",
|
| 422 |
-
"nHBd",
|
| 423 |
-
"SddssS",
|
| 424 |
-
"nCl",
|
| 425 |
-
"minsOH",
|
| 426 |
-
"SHaaCH",
|
| 427 |
-
"nHBDon",
|
| 428 |
-
"nF11HeteroRing",
|
| 429 |
-
"AATS5i",
|
| 430 |
-
"AATS5m",
|
| 431 |
-
"SpMin6_Bhs",
|
| 432 |
-
"SpMin6_Bhp",
|
| 433 |
-
"SpMin6_Bhv",
|
| 434 |
-
"AATS5e",
|
| 435 |
-
"ETA_dBeta",
|
| 436 |
-
"khs.sCH3",
|
| 437 |
-
"ALogP",
|
| 438 |
-
"SpMin6_Bhm",
|
| 439 |
-
"BCUTp-1l",
|
| 440 |
-
"AATS5s",
|
| 441 |
-
"BCUTp-1h",
|
| 442 |
-
"AATS5v",
|
| 443 |
-
"SpMin6_Bhe",
|
| 444 |
-
"ATS8i",
|
| 445 |
-
"ATS8m",
|
| 446 |
-
"BCUTw-1h",
|
| 447 |
-
"BCUTw-1l",
|
| 448 |
-
"nBondsS3",
|
| 449 |
-
"nBondsS2",
|
| 450 |
-
"ATS8p",
|
| 451 |
-
"GATS3p",
|
| 452 |
-
"GATS3s",
|
| 453 |
-
"GATS3v",
|
| 454 |
-
"GATS3c",
|
| 455 |
-
"GATS3e",
|
| 456 |
-
"SC-5",
|
| 457 |
-
"GATS3i",
|
| 458 |
-
"SC-6",
|
| 459 |
-
"GATS3m",
|
| 460 |
-
"SC-3",
|
| 461 |
-
"minsCH3",
|
| 462 |
-
"SssssC",
|
| 463 |
-
"nAtomLC",
|
| 464 |
-
"nT12HeteroRing",
|
| 465 |
-
"minHaaCH",
|
| 466 |
-
"MLFER_BH",
|
| 467 |
-
"MLFER_BO",
|
| 468 |
-
"SaaaC",
|
| 469 |
-
"mindsCH",
|
| 470 |
-
"nddssS",
|
| 471 |
-
"maxaasC",
|
| 472 |
-
"maxsssN",
|
| 473 |
-
"MATS6p",
|
| 474 |
-
"MATS6s",
|
| 475 |
-
"MATS6v",
|
| 476 |
-
"MATS6i",
|
| 477 |
-
"MATS6m",
|
| 478 |
-
"MATS6e",
|
| 479 |
-
"ETA_Beta_ns_d",
|
| 480 |
-
"hmax",
|
| 481 |
-
"ETA_Beta_s",
|
| 482 |
-
"nHaaCH",
|
| 483 |
-
"khs.aaaC",
|
| 484 |
-
"khs.sNH2",
|
| 485 |
-
"ETA_AlphaP",
|
| 486 |
-
"nAromBond",
|
| 487 |
-
"ATSC2v",
|
| 488 |
-
"ATSC2p",
|
| 489 |
-
"ATSC2s",
|
| 490 |
-
"ATS4v",
|
| 491 |
-
"ATSC2e",
|
| 492 |
-
"ATSC2c",
|
| 493 |
-
"ATSC2m",
|
| 494 |
-
"ATSC2i",
|
| 495 |
-
"AATS4v",
|
| 496 |
-
"AATS4s",
|
| 497 |
-
"AATS4p",
|
| 498 |
-
"AATS4e",
|
| 499 |
-
"ETA_BetaP",
|
| 500 |
-
"AATS4m",
|
| 501 |
-
"khs.sOH",
|
| 502 |
-
"AATS4i",
|
| 503 |
-
"SHsOH",
|
| 504 |
-
"SpMax_D",
|
| 505 |
-
"MDEN-13",
|
| 506 |
-
"MDEN-12",
|
| 507 |
-
"MDEN-11",
|
| 508 |
-
"ntsC",
|
| 509 |
-
"ATS3m",
|
| 510 |
-
"PetitjeanNumber",
|
| 511 |
-
"khs.aasN",
|
| 512 |
-
"khs.aasC",
|
| 513 |
-
"MWC10",
|
| 514 |
-
"MPC7",
|
| 515 |
-
"TWC",
|
| 516 |
-
"topoRadius",
|
| 517 |
-
"WPATH",
|
| 518 |
-
"nG",
|
| 519 |
-
"ndsN",
|
| 520 |
-
"MAXDP",
|
| 521 |
-
"naaaC",
|
| 522 |
-
"SM1_DzZ",
|
| 523 |
-
"SpAbs_DzZ",
|
| 524 |
-
"SpAbs_Dze",
|
| 525 |
-
"khs.aaNH",
|
| 526 |
-
"SpAbs_Dzm",
|
| 527 |
-
"SM1_Dzv",
|
| 528 |
-
"SpAbs_Dzi",
|
| 529 |
-
"SM1_Dzp",
|
| 530 |
-
"SM1_Dzs",
|
| 531 |
-
"SM1_Dzm",
|
| 532 |
-
"SpAbs_Dzv",
|
| 533 |
-
"SM1_Dzi",
|
| 534 |
-
"SpAbs_Dzp",
|
| 535 |
-
"SpAbs_Dzs",
|
| 536 |
-
"SM1_Dze",
|
| 537 |
-
"maxaaCH",
|
| 538 |
-
"maxdO",
|
| 539 |
-
"nF11Ring",
|
| 540 |
-
"GATS2v",
|
| 541 |
-
"GATS2s",
|
| 542 |
-
"ETA_Beta",
|
| 543 |
-
"GATS2m",
|
| 544 |
-
"GATS2i",
|
| 545 |
-
"maxdS",
|
| 546 |
-
"GATS2e",
|
| 547 |
-
"GATS2c",
|
| 548 |
-
"nHaaNH",
|
| 549 |
-
"ATSC1p",
|
| 550 |
-
"ATSC1s",
|
| 551 |
-
"ATSC1v",
|
| 552 |
-
"ATSC1c",
|
| 553 |
-
"ATSC1e",
|
| 554 |
-
"ATSC1i",
|
| 555 |
-
"ATSC1m",
|
| 556 |
-
"MWC9",
|
| 557 |
-
"MWC8",
|
| 558 |
-
"MWC5",
|
| 559 |
-
"MWC4",
|
| 560 |
-
"MWC7",
|
| 561 |
-
"MWC6",
|
| 562 |
-
"ndssC",
|
| 563 |
-
"MWC2",
|
| 564 |
-
"MAXDN2",
|
| 565 |
-
"MATS5e",
|
| 566 |
-
"SpMin2_Bhe",
|
| 567 |
-
"MATS5c",
|
| 568 |
-
"MATS5m",
|
| 569 |
-
"SpMin2_Bhm",
|
| 570 |
-
"MATS5i",
|
| 571 |
-
"SpMin2_Bhi",
|
| 572 |
-
"SpMin2_Bhv",
|
| 573 |
-
"MATS5v",
|
| 574 |
-
"MATS5p",
|
| 575 |
-
"SpMin2_Bhs",
|
| 576 |
-
"SpMin2_Bhp",
|
| 577 |
-
"VE1_Dzi",
|
| 578 |
-
"Mare",
|
| 579 |
-
"BCUTc-1l",
|
| 580 |
-
"BCUTc-1h",
|
| 581 |
-
"SssNH",
|
| 582 |
-
"MPC9",
|
| 583 |
-
"VE1_Dzp",
|
| 584 |
-
"naaN",
|
| 585 |
-
"naaO",
|
| 586 |
-
"naaS",
|
| 587 |
-
"SsBr",
|
| 588 |
-
"SHBd",
|
| 589 |
-
"TSRW",
|
| 590 |
-
"SHBa",
|
| 591 |
-
"khs.ssNH",
|
| 592 |
-
"nT9HeteroRing",
|
| 593 |
-
"SpMax6_Bhp",
|
| 594 |
-
"SpMax6_Bhs",
|
| 595 |
-
"SpMAD_Dzv",
|
| 596 |
-
"SpMax6_Bhv",
|
| 597 |
-
"SpMax6_Bhe",
|
| 598 |
-
"SpMAD_Dze",
|
| 599 |
-
"SpMax6_Bhi",
|
| 600 |
-
"SpMAD_Dzi",
|
| 601 |
-
"SpMax6_Bhm",
|
| 602 |
-
"SpMAD_Dzm",
|
| 603 |
-
"SpMAD_DzZ",
|
| 604 |
-
"AATSC8s",
|
| 605 |
-
"AATSC8p",
|
| 606 |
-
"AATSC8v",
|
| 607 |
-
"minHssNH",
|
| 608 |
-
"AATSC8c",
|
| 609 |
-
"AATSC8e",
|
| 610 |
-
"AATSC8i",
|
| 611 |
-
"AATSC8m",
|
| 612 |
-
"AATS3s",
|
| 613 |
-
"AATS3p",
|
| 614 |
-
"AATS3v",
|
| 615 |
-
"SpMin5_Bhv",
|
| 616 |
-
"SpMin5_Bhp",
|
| 617 |
-
"SpMin5_Bhs",
|
| 618 |
-
"SpMin5_Bhm",
|
| 619 |
-
"SpMin5_Bhi",
|
| 620 |
-
"AATS3e",
|
| 621 |
-
"SpMin5_Bhe",
|
| 622 |
-
"AATS3i",
|
| 623 |
-
"SpMAD_Dzs",
|
| 624 |
-
"AATS3m",
|
| 625 |
-
"n7Ring",
|
| 626 |
-
"maxdCH2",
|
| 627 |
-
"MLFER_L",
|
| 628 |
-
"GATS5s",
|
| 629 |
-
"GATS5p",
|
| 630 |
-
"GATS5v",
|
| 631 |
-
"MLFER_A",
|
| 632 |
-
"GATS5i",
|
| 633 |
-
"GATS5m",
|
| 634 |
-
"IC3",
|
| 635 |
-
"IC2",
|
| 636 |
-
"IC1",
|
| 637 |
-
"IC0",
|
| 638 |
-
"khs.tN",
|
| 639 |
-
"IC5",
|
| 640 |
-
"IC4",
|
| 641 |
-
"ETA_Eta_R",
|
| 642 |
-
"ETA_Eta_L",
|
| 643 |
-
"SHdCH2",
|
| 644 |
-
"ETA_Eta_B",
|
| 645 |
-
"ETA_Eta_F",
|
| 646 |
-
"SaaCH",
|
| 647 |
-
"nAcid",
|
| 648 |
-
"maxsssCH",
|
| 649 |
-
"SsCl",
|
| 650 |
-
"nF6Ring",
|
| 651 |
-
"maxsF",
|
| 652 |
-
"MATS4c",
|
| 653 |
-
"MATS4e",
|
| 654 |
-
"MATS4i",
|
| 655 |
-
"SP-4",
|
| 656 |
-
"MATS4m",
|
| 657 |
-
"MATS4s",
|
| 658 |
-
"MATS4p",
|
| 659 |
-
"MATS4v",
|
| 660 |
-
"minHdNH",
|
| 661 |
-
"VC-6",
|
| 662 |
-
"SsssN",
|
| 663 |
-
"minaaaC",
|
| 664 |
-
"minwHBa",
|
| 665 |
-
"nT6HeteroRing",
|
| 666 |
-
"khs.dssC",
|
| 667 |
-
"AATSC0m",
|
| 668 |
-
"EE_Dt",
|
| 669 |
-
"minsF",
|
| 670 |
-
"ATSC0v",
|
| 671 |
-
"ATSC0s",
|
| 672 |
-
"ATSC0p",
|
| 673 |
-
"ATSC0m",
|
| 674 |
-
"ATSC0i",
|
| 675 |
-
"ATSC0e",
|
| 676 |
-
"ATSC0c",
|
| 677 |
-
"VE2_D",
|
| 678 |
-
"SpMAD_D",
|
| 679 |
-
"nHBint2",
|
| 680 |
-
"nHBint3",
|
| 681 |
-
"ETA_Epsilon_1",
|
| 682 |
-
"nHBint6",
|
| 683 |
-
"nHBint7",
|
| 684 |
-
"nHBint4",
|
| 685 |
-
"nHBint5",
|
| 686 |
-
"nHBint8",
|
| 687 |
-
"nHBint9",
|
| 688 |
-
"nBondsS",
|
| 689 |
-
"AATS2p",
|
| 690 |
-
"AATS2s",
|
| 691 |
-
"nBondsT",
|
| 692 |
-
"AATS2e",
|
| 693 |
-
"nBondsD",
|
| 694 |
-
"AATS2i",
|
| 695 |
-
"AATS2m",
|
| 696 |
-
"nBondsM",
|
| 697 |
-
"nBonds2",
|
| 698 |
-
"MDEN-33",
|
| 699 |
-
"Sp",
|
| 700 |
-
"Sv",
|
| 701 |
-
"Si",
|
| 702 |
-
"FMF",
|
| 703 |
-
"nRotB",
|
| 704 |
-
"n7HeteroRing",
|
| 705 |
-
"minssssC",
|
| 706 |
-
"SwHBa",
|
| 707 |
-
"Zagreb",
|
| 708 |
-
"SRW6",
|
| 709 |
-
"SRW7",
|
| 710 |
-
"SRW4",
|
| 711 |
-
"SRW5",
|
| 712 |
-
"SRW2",
|
| 713 |
-
"khs.sCl",
|
| 714 |
-
"SRW8",
|
| 715 |
-
"SRW9",
|
| 716 |
-
"maxHsNH2",
|
| 717 |
-
"SCH-5",
|
| 718 |
-
"SCH-6",
|
| 719 |
-
"SCH-7",
|
| 720 |
-
"khs.sF",
|
| 721 |
-
"nF9Ring",
|
| 722 |
-
"ATS6p",
|
| 723 |
-
"maxaasN",
|
| 724 |
-
"MAXDP2",
|
| 725 |
-
"minHtCH",
|
| 726 |
-
"nsNH2",
|
| 727 |
-
"nFG12Ring",
|
| 728 |
-
"VE1_DzZ",
|
| 729 |
-
"VE1_Dze",
|
| 730 |
-
"GATS4p",
|
| 731 |
-
"GATS4s",
|
| 732 |
-
"VE1_Dzm",
|
| 733 |
-
"GATS4v",
|
| 734 |
-
"GATS4i",
|
| 735 |
-
"VE1_Dzs",
|
| 736 |
-
"GATS4m",
|
| 737 |
-
"ndsCH",
|
| 738 |
-
"VE1_Dzv",
|
| 739 |
-
"GATS4c",
|
| 740 |
-
"GATS4e",
|
| 741 |
-
"ETA_Beta_ns",
|
| 742 |
-
"McGowan_Volume",
|
| 743 |
-
"n5Ring",
|
| 744 |
-
"ETA_dAlpha_B",
|
| 745 |
-
"ATSC7s",
|
| 746 |
-
"ATSC7p",
|
| 747 |
-
"ETA_dAlpha_A",
|
| 748 |
-
"ATSC7v",
|
| 749 |
-
"ATSC7i",
|
| 750 |
-
"ATSC7m",
|
| 751 |
-
"ATSC7c",
|
| 752 |
-
"VC-4",
|
| 753 |
-
"VC-5",
|
| 754 |
-
"VC-3",
|
| 755 |
-
"ATSC7e",
|
| 756 |
-
"maxssssNp",
|
| 757 |
-
"JGI2",
|
| 758 |
-
"JGI3",
|
| 759 |
-
"JGI1",
|
| 760 |
-
"JGI6",
|
| 761 |
-
"JGI7",
|
| 762 |
-
"JGI4",
|
| 763 |
-
"JGI5",
|
| 764 |
-
"JGI8",
|
| 765 |
-
"JGI9",
|
| 766 |
-
"SpAD_DzZ",
|
| 767 |
-
"SpAD_Dze",
|
| 768 |
-
"SpAD_Dzm",
|
| 769 |
-
"SpAD_Dzi",
|
| 770 |
-
"SpAD_Dzv",
|
| 771 |
-
"SpAD_Dzp",
|
| 772 |
-
"SpAD_Dzs",
|
| 773 |
-
"nsssCH",
|
| 774 |
-
"nBonds",
|
| 775 |
-
"LipinskiFailures",
|
| 776 |
-
"SpDiam_D",
|
| 777 |
-
"minHdsCH",
|
| 778 |
-
"SssO",
|
| 779 |
-
"SssS",
|
| 780 |
-
"C2SP3",
|
| 781 |
-
"C2SP2",
|
| 782 |
-
"C2SP1",
|
| 783 |
-
"GATS2p",
|
| 784 |
-
"ETA_Shape_X",
|
| 785 |
-
"ETA_Shape_Y",
|
| 786 |
-
"ETA_Shape_P",
|
| 787 |
-
"naaNH",
|
| 788 |
-
"khs.dCH2",
|
| 789 |
-
"AVP-5",
|
| 790 |
-
"AVP-4",
|
| 791 |
-
"AVP-7",
|
| 792 |
-
"AVP-1",
|
| 793 |
-
"AVP-0",
|
| 794 |
-
"AVP-2",
|
| 795 |
-
"AATS1v",
|
| 796 |
-
"AATS1p",
|
| 797 |
-
"AATS1s",
|
| 798 |
-
"AATS1m",
|
| 799 |
-
"MDEN-22",
|
| 800 |
-
"AATS1i",
|
| 801 |
-
"AATS1e",
|
| 802 |
-
"maxaaNH",
|
| 803 |
-
"maxHaaNH",
|
| 804 |
-
"nT8HeteroRing",
|
| 805 |
-
"GATS7c",
|
| 806 |
-
"GATS7m",
|
| 807 |
-
"GATS7v",
|
| 808 |
-
"GATS7p",
|
| 809 |
-
"GATS7s",
|
| 810 |
-
"SsOm",
|
| 811 |
-
"SsOH",
|
| 812 |
-
"AATSC4v",
|
| 813 |
-
"maxHBd",
|
| 814 |
-
"AATSC4s",
|
| 815 |
-
"khs.sBr",
|
| 816 |
-
"maxHBa",
|
| 817 |
-
"khs.dsN",
|
| 818 |
-
"SHssNH",
|
| 819 |
-
"AATSC4e",
|
| 820 |
-
"AATSC4c",
|
| 821 |
-
"AATSC4m",
|
| 822 |
-
"AATSC4i",
|
| 823 |
-
"SHBint10",
|
| 824 |
-
"ATS2v",
|
| 825 |
-
"ATS2p",
|
| 826 |
-
"ATS2s",
|
| 827 |
-
"CrippenLogP",
|
| 828 |
-
"ATS2i",
|
| 829 |
-
"JGT",
|
| 830 |
-
"MPC10",
|
| 831 |
-
"ndNH",
|
| 832 |
-
"VAdjMat",
|
| 833 |
-
"khs.ddssS",
|
| 834 |
-
"nT7Ring",
|
| 835 |
-
"khs.dsCH",
|
| 836 |
-
"ATSC6p",
|
| 837 |
-
"ATSC6s",
|
| 838 |
-
"ATSC6v",
|
| 839 |
-
"ATSC6i",
|
| 840 |
-
"ATSC6m",
|
| 841 |
-
"ATSC6c",
|
| 842 |
-
"ATSC6e",
|
| 843 |
-
"SpMin1_Bhi",
|
| 844 |
-
"SpMin1_Bhm",
|
| 845 |
-
"SpMin1_Bhp",
|
| 846 |
-
"SpMin1_Bhs",
|
| 847 |
-
"nT11HeteroRing",
|
| 848 |
-
"SpMin1_Bhv",
|
| 849 |
-
"SHother",
|
| 850 |
-
"AATS0s",
|
| 851 |
-
"SpMin4_Bhv",
|
| 852 |
-
"AATS0p",
|
| 853 |
-
"SpMin4_Bhp",
|
| 854 |
-
"AATS0v",
|
| 855 |
-
"SpMin4_Bhs",
|
| 856 |
-
"SpMin4_Bhm",
|
| 857 |
-
"AATS0i",
|
| 858 |
-
"SpMin4_Bhi",
|
| 859 |
-
"AATS0m",
|
| 860 |
-
"minsssCH",
|
| 861 |
-
"SpMin4_Bhe",
|
| 862 |
-
"nAtomLAC",
|
| 863 |
-
"AATS0e",
|
| 864 |
-
"nsCH3",
|
| 865 |
-
"MWC3",
|
| 866 |
-
"ATSC5v",
|
| 867 |
-
"MLFER_S",
|
| 868 |
-
"ETA_dBetaP",
|
| 869 |
-
"AATSC4p",
|
| 870 |
-
"nRotBt",
|
| 871 |
-
"nsOm",
|
| 872 |
-
"SHaaNH",
|
| 873 |
-
"nsOH",
|
| 874 |
-
"AATSC5v",
|
| 875 |
-
"AATSC5s",
|
| 876 |
-
"nssssNp",
|
| 877 |
-
"AATSC5e",
|
| 878 |
-
"naasN",
|
| 879 |
-
"AATSC5c",
|
| 880 |
-
"AATSC5m",
|
| 881 |
-
"nsssN",
|
| 882 |
-
"SpMax_Dt",
|
| 883 |
-
"AATSC5i",
|
| 884 |
-
"naasC",
|
| 885 |
-
"VR3_D",
|
| 886 |
-
"VR1_D",
|
| 887 |
-
"VR1_Dt",
|
| 888 |
-
"ETA_Epsilon_2",
|
| 889 |
-
"MLogP",
|
| 890 |
-
"nHBAcc2",
|
| 891 |
-
"nHBAcc3",
|
| 892 |
-
"AMR",
|
| 893 |
-
"AMW",
|
| 894 |
-
"GATS6c",
|
| 895 |
-
"sumI",
|
| 896 |
-
"GATS6e",
|
| 897 |
-
"gmax",
|
| 898 |
-
"maxHssNH",
|
| 899 |
-
"MATS5s",
|
| 900 |
-
"maxsNH2",
|
| 901 |
-
"GATS6m",
|
| 902 |
-
"maxHBint8",
|
| 903 |
-
"maxHBint9",
|
| 904 |
-
"GATS6p",
|
| 905 |
-
"C1SP2",
|
| 906 |
-
"C1SP3",
|
| 907 |
-
"khs.tsC",
|
| 908 |
-
"maxHBint2",
|
| 909 |
-
"maxHBint3",
|
| 910 |
-
"maxHBint4",
|
| 911 |
-
"maxHBint5",
|
| 912 |
-
"maxHBint6",
|
| 913 |
-
"maxHBint7",
|
| 914 |
-
"AVP-6",
|
| 915 |
-
"nHdNH",
|
| 916 |
-
"ATSC5e",
|
| 917 |
-
"C4SP3",
|
| 918 |
-
"AVP-3",
|
| 919 |
-
"ATSC5c",
|
| 920 |
-
"ATSC5m",
|
| 921 |
-
"nHother",
|
| 922 |
-
"ATSC5i",
|
| 923 |
-
"VCH-5",
|
| 924 |
-
"VCH-7",
|
| 925 |
-
"VCH-6",
|
| 926 |
-
"Mse",
|
| 927 |
-
"nsF",
|
| 928 |
-
"DELS2",
|
| 929 |
-
"MATS8m",
|
| 930 |
-
"ATS3v",
|
| 931 |
-
"ATS3s",
|
| 932 |
-
"ATS3p",
|
| 933 |
-
"ATS3e",
|
| 934 |
-
"MATS8i",
|
| 935 |
-
"Kier2",
|
| 936 |
-
"Kier3",
|
| 937 |
-
"Kier1",
|
| 938 |
-
"HybRatio",
|
| 939 |
-
"ATS3i",
|
| 940 |
-
"MDEN-23",
|
| 941 |
-
"SHBint9",
|
| 942 |
-
"SHBint8",
|
| 943 |
-
"SHBint3",
|
| 944 |
-
"SHBint2",
|
| 945 |
-
"SHBint7",
|
| 946 |
-
"SHBint6",
|
| 947 |
-
"SHBint5",
|
| 948 |
-
"SHBint4",
|
| 949 |
-
"DELS",
|
| 950 |
-
"minHsNH2",
|
| 951 |
-
"nHeteroRing",
|
| 952 |
-
"GATS7e",
|
| 953 |
-
"ETA_Psi_1",
|
| 954 |
-
"mindssC",
|
| 955 |
-
"nwHBa",
|
| 956 |
-
"maxHBint10",
|
| 957 |
-
"mindNH",
|
| 958 |
-
"GATS7i",
|
| 959 |
-
"nHssNH",
|
| 960 |
-
"nAtom",
|
| 961 |
-
"Spe",
|
| 962 |
-
"khs.dS",
|
| 963 |
-
"khs.dO",
|
| 964 |
-
"maxwHBa",
|
| 965 |
-
"AATSC6p",
|
| 966 |
-
"AATSC6s",
|
| 967 |
-
"AATSC6v",
|
| 968 |
-
"AATSC6c",
|
| 969 |
-
"AATSC6e",
|
| 970 |
-
"AATSC6i",
|
| 971 |
-
"AATSC6m",
|
| 972 |
-
"SssssNp",
|
| 973 |
-
"AATSC7c",
|
| 974 |
-
"nssCH2",
|
| 975 |
-
"ASP-2",
|
| 976 |
-
"ASP-3",
|
| 977 |
-
"ASP-0",
|
| 978 |
-
"ASP-1",
|
| 979 |
-
"ASP-6",
|
| 980 |
-
"ASP-7",
|
| 981 |
-
"ASP-4",
|
| 982 |
-
"ASP-5",
|
| 983 |
-
"ATS0s",
|
| 984 |
-
"MATS8v",
|
| 985 |
-
"ATS0p",
|
| 986 |
-
"MATS8s",
|
| 987 |
-
"ATS0v",
|
| 988 |
-
"MATS8p",
|
| 989 |
-
"MATS8e",
|
| 990 |
-
"MATS8c",
|
| 991 |
-
"ATS0e",
|
| 992 |
-
"ATS0i",
|
| 993 |
-
"ATS0m",
|
| 994 |
-
"GGI9",
|
| 995 |
-
"GGI8",
|
| 996 |
-
"GGI1",
|
| 997 |
-
"GGI3",
|
| 998 |
-
"GGI2",
|
| 999 |
-
"GGI5",
|
| 1000 |
-
"GGI4",
|
| 1001 |
-
"GGI7",
|
| 1002 |
-
"GGI6",
|
| 1003 |
-
"nTRing",
|
| 1004 |
-
"nT10Ring",
|
| 1005 |
-
"TIC0",
|
| 1006 |
-
"TIC1",
|
| 1007 |
-
"TIC2",
|
| 1008 |
-
"TIC3",
|
| 1009 |
-
"TIC4",
|
| 1010 |
-
"TIC5",
|
| 1011 |
-
"maxsCl",
|
| 1012 |
-
"ntCH",
|
| 1013 |
-
"khs.aaCH",
|
| 1014 |
-
"ZMIC4",
|
| 1015 |
-
"ZMIC5",
|
| 1016 |
-
"ZMIC0",
|
| 1017 |
-
"ZMIC1",
|
| 1018 |
-
"ZMIC2",
|
| 1019 |
-
"ZMIC3",
|
| 1020 |
-
"minHother",
|
| 1021 |
-
"ATSC4c",
|
| 1022 |
-
"ATSC4e",
|
| 1023 |
-
"ATSC4i",
|
| 1024 |
-
"ATSC4m",
|
| 1025 |
-
"ATSC4s",
|
| 1026 |
-
"ATSC4p",
|
| 1027 |
-
"ATSC4v",
|
| 1028 |
-
"SpMax1_Bhs",
|
| 1029 |
-
"SpMax1_Bhp",
|
| 1030 |
-
"SpMax1_Bhv",
|
| 1031 |
-
"hmin",
|
| 1032 |
-
"SpMax1_Bhe",
|
| 1033 |
-
"SpMax1_Bhi",
|
| 1034 |
-
"SpMax1_Bhm",
|
| 1035 |
-
"MPC6",
|
| 1036 |
-
"nAtomP",
|
| 1037 |
-
"MPC4",
|
| 1038 |
-
"MPC5",
|
| 1039 |
-
"MPC2",
|
| 1040 |
-
"VR3_Dzv",
|
| 1041 |
-
"VR3_Dzs",
|
| 1042 |
-
"MPC8",
|
| 1043 |
-
"VR3_Dzp",
|
| 1044 |
-
"VR3_Dzm",
|
| 1045 |
-
"SpMAD_Dzp",
|
| 1046 |
-
"VR3_Dzi",
|
| 1047 |
-
"VR3_Dze",
|
| 1048 |
-
"SsF",
|
| 1049 |
-
"minaaO",
|
| 1050 |
-
"VR3_DzZ",
|
| 1051 |
-
"mintCH",
|
| 1052 |
-
"Sse",
|
| 1053 |
-
"C3SP2",
|
| 1054 |
-
"VR1_DzZ",
|
| 1055 |
-
"VR1_Dzp",
|
| 1056 |
-
"VR1_Dzs",
|
| 1057 |
-
"SdCH2",
|
| 1058 |
-
"SHtCH",
|
| 1059 |
-
"VR1_Dzi",
|
| 1060 |
-
"VR1_Dzm",
|
| 1061 |
-
"VR1_Dze",
|
| 1062 |
-
"maxdsN",
|
| 1063 |
-
"AATSC7v",
|
| 1064 |
-
"AATSC7s",
|
| 1065 |
-
"AATSC7p",
|
| 1066 |
-
"AATSC7m",
|
| 1067 |
-
"AATSC7i",
|
| 1068 |
-
"nHdsCH",
|
| 1069 |
-
"AATSC7e",
|
| 1070 |
-
"BIC2",
|
| 1071 |
-
"BIC3",
|
| 1072 |
-
"BIC0",
|
| 1073 |
-
"BIC1",
|
| 1074 |
-
"SIC5",
|
| 1075 |
-
"SIC4",
|
| 1076 |
-
"SIC1",
|
| 1077 |
-
"SIC0",
|
| 1078 |
-
"SIC3",
|
| 1079 |
-
"SIC2",
|
| 1080 |
-
"naaCH",
|
| 1081 |
-
"minHBd",
|
| 1082 |
-
"minHBa",
|
| 1083 |
-
"AATSC1p",
|
| 1084 |
-
"nssO",
|
| 1085 |
-
"AATSC0i",
|
| 1086 |
-
"ALogp2",
|
| 1087 |
-
"nssS",
|
| 1088 |
-
"AATSC1i",
|
| 1089 |
-
"SaaS",
|
| 1090 |
-
"SaaO",
|
| 1091 |
-
"SaaN",
|
| 1092 |
-
"maxsBr",
|
| 1093 |
-
"GATS8m",
|
| 1094 |
-
"SpMax2_Bhv",
|
| 1095 |
-
"GATS8i",
|
| 1096 |
-
"SpMax2_Bhs",
|
| 1097 |
-
"GATS8e",
|
| 1098 |
-
"GATS8c",
|
| 1099 |
-
"SpMax2_Bhe",
|
| 1100 |
-
"SpMax2_Bhm",
|
| 1101 |
-
"GATS8v",
|
| 1102 |
-
"GATS8p",
|
| 1103 |
-
"GATS8s",
|
| 1104 |
-
"piPC3",
|
| 1105 |
-
"piPC2",
|
| 1106 |
-
"piPC1",
|
| 1107 |
-
"piPC7",
|
| 1108 |
-
"piPC6",
|
| 1109 |
-
"piPC5",
|
| 1110 |
-
"piPC4",
|
| 1111 |
-
"piPC9",
|
| 1112 |
-
"piPC8",
|
| 1113 |
-
"maxHdsCH",
|
| 1114 |
-
"nT11Ring",
|
| 1115 |
-
"ATS1v",
|
| 1116 |
-
"ATS1p",
|
| 1117 |
-
"ATS1s",
|
| 1118 |
-
"ATS1i",
|
| 1119 |
-
"SpMAD_Dt",
|
| 1120 |
-
"ATS1e",
|
| 1121 |
-
"VR2_Dzi",
|
| 1122 |
-
"n6HeteroRing",
|
| 1123 |
-
"MPC3",
|
| 1124 |
-
"ATS2e",
|
| 1125 |
-
"VR2_Dzv",
|
| 1126 |
-
"minHBint9",
|
| 1127 |
-
"VE2_Dzs",
|
| 1128 |
-
"VE2_Dzp",
|
| 1129 |
-
"VE2_Dzv",
|
| 1130 |
-
"ATS2m",
|
| 1131 |
-
"VE2_Dzi",
|
| 1132 |
-
"VE2_Dzm",
|
| 1133 |
-
"maxtCH",
|
| 1134 |
-
"minaaNH",
|
| 1135 |
-
"VE2_Dze",
|
| 1136 |
-
"VE2_DzZ",
|
| 1137 |
-
"nHAvin",
|
| 1138 |
-
"meanI",
|
| 1139 |
-
"nHCsatu",
|
| 1140 |
-
"nHCsats",
|
| 1141 |
-
"apol",
|
| 1142 |
-
"ATS5i",
|
| 1143 |
-
"nF12Ring",
|
| 1144 |
-
"mindS",
|
| 1145 |
-
"mindO",
|
| 1146 |
-
"MolIP",
|
| 1147 |
-
"maxdsCH",
|
| 1148 |
-
"ndCH2",
|
| 1149 |
-
"TopoPSA",
|
| 1150 |
-
"ETA_EtaP_B_RC",
|
| 1151 |
-
"MDEO-11",
|
| 1152 |
-
"MDEO-12",
|
| 1153 |
-
"AATSC0s",
|
| 1154 |
-
"SpMax5_Bhv",
|
| 1155 |
-
"AATSC0p",
|
| 1156 |
-
"SpMax5_Bhs",
|
| 1157 |
-
"AATSC0v",
|
| 1158 |
-
"SpMax5_Bhp",
|
| 1159 |
-
"SpMax5_Bhm",
|
| 1160 |
-
"SpMax5_Bhi",
|
| 1161 |
-
"AATSC0c",
|
| 1162 |
-
"SpMax5_Bhe",
|
| 1163 |
-
"AATSC0e",
|
| 1164 |
-
"EE_D",
|
| 1165 |
-
"VE3_DzZ",
|
| 1166 |
-
"C3SP3",
|
| 1167 |
-
"VE3_Dzv",
|
| 1168 |
-
"minddssS",
|
| 1169 |
-
"ATS6s",
|
| 1170 |
-
"VE3_Dzs",
|
| 1171 |
-
"VE3_Dzp",
|
| 1172 |
-
"ATS6v",
|
| 1173 |
-
"ATS6i",
|
| 1174 |
-
"VE3_Dzm",
|
| 1175 |
-
"ATS6m",
|
| 1176 |
-
"VE3_Dzi",
|
| 1177 |
-
"VE3_Dze",
|
| 1178 |
-
"ATS6e",
|
| 1179 |
-
"nTG12HeteroRing",
|
| 1180 |
-
"VPC-6",
|
| 1181 |
-
"VPC-5",
|
| 1182 |
-
"VPC-4",
|
| 1183 |
-
"MLFER_E",
|
| 1184 |
-
"nBondsD2",
|
| 1185 |
-
"nT12Ring",
|
| 1186 |
-
"Mpe",
|
| 1187 |
-
"maxHdCH2",
|
| 1188 |
-
"nT5HeteroRing",
|
| 1189 |
-
"nHeavyAtom",
|
| 1190 |
-
"nRing",
|
| 1191 |
-
"GATS5c",
|
| 1192 |
-
"nF12HeteroRing",
|
| 1193 |
-
"GATS5e",
|
| 1194 |
-
"VR1_Dzv",
|
| 1195 |
-
"minsssN",
|
| 1196 |
-
"topoShape",
|
| 1197 |
-
"ndO",
|
| 1198 |
-
"ndS",
|
| 1199 |
-
"nssNH",
|
| 1200 |
-
"VE1_Dt",
|
| 1201 |
-
"maxHaaCH",
|
| 1202 |
-
"nHBAcc",
|
| 1203 |
-
"VE3_D",
|
| 1204 |
-
"nsCl",
|
| 1205 |
-
"VE1_D",
|
| 1206 |
-
"AATSC1s",
|
| 1207 |
-
"AATSC1v",
|
| 1208 |
-
"AATSC1m",
|
| 1209 |
-
"AATSC1c",
|
| 1210 |
-
"AATSC1e",
|
| 1211 |
-
"LipoaffinityIndex",
|
| 1212 |
-
"n6Ring",
|
| 1213 |
-
"ETA_Eta",
|
| 1214 |
-
"WTPT-1",
|
| 1215 |
-
"WTPT-2",
|
| 1216 |
-
"WTPT-3",
|
| 1217 |
-
"WTPT-4",
|
| 1218 |
-
"WTPT-5",
|
| 1219 |
-
"ETA_EtaP_L",
|
| 1220 |
-
"ETA_EtaP_F",
|
| 1221 |
-
"ETA_EtaP_B",
|
| 1222 |
-
"nT5Ring",
|
| 1223 |
-
"SHdNH",
|
| 1224 |
-
"ETA_dEpsilon_C",
|
| 1225 |
-
"MDEO-22",
|
| 1226 |
-
"is_toxic"
|
| 1227 |
-
]
|
| 1228 |
-
|
| 1229 |
-
features_types_per_config = {
|
| 1230 |
-
"toxicity": {f: datasets.Value("float32") for f in _BASE_FEATURE_NAMES[:-1]}
|
| 1231 |
-
}
|
| 1232 |
-
features_types_per_config["toxicity"]["is_toxic"] = datasets.ClassLabel(num_classes=2)
|
| 1233 |
-
features_per_config = {k: datasets.Features(features_types_per_config[k]) for k in features_types_per_config}
|
| 1234 |
-
|
| 1235 |
-
|
| 1236 |
-
class ToxicityConfig(datasets.BuilderConfig):
|
| 1237 |
-
def __init__(self, **kwargs):
|
| 1238 |
-
super(ToxicityConfig, self).__init__(version=VERSION, **kwargs)
|
| 1239 |
-
self.features = features_per_config[kwargs["name"]]
|
| 1240 |
-
|
| 1241 |
-
|
| 1242 |
-
class Toxicity(datasets.GeneratorBasedBuilder):
|
| 1243 |
-
# dataset versions
|
| 1244 |
-
DEFAULT_CONFIG = "toxicity"
|
| 1245 |
-
BUILDER_CONFIGS = [
|
| 1246 |
-
ToxicityConfig(name="toxicity",
|
| 1247 |
-
description="Toxicity for binary classification.")
|
| 1248 |
-
]
|
| 1249 |
-
|
| 1250 |
-
|
| 1251 |
-
def _info(self):
|
| 1252 |
-
if self.config.name not in features_per_config:
|
| 1253 |
-
raise ValueError(f"Unknown configuration: {self.config.name}")
|
| 1254 |
-
|
| 1255 |
-
info = datasets.DatasetInfo(description=DESCRIPTION, citation=_CITATION, homepage=_HOMEPAGE,
|
| 1256 |
-
features=features_per_config[self.config.name])
|
| 1257 |
-
|
| 1258 |
-
return info
|
| 1259 |
-
|
| 1260 |
-
def _split_generators(self, dl_manager: datasets.DownloadManager) -> List[datasets.SplitGenerator]:
|
| 1261 |
-
downloads = dl_manager.download_and_extract(urls_per_split)
|
| 1262 |
-
|
| 1263 |
-
return [
|
| 1264 |
-
datasets.SplitGenerator(name=datasets.Split.TRAIN, gen_kwargs={"filepath": downloads["train"]})
|
| 1265 |
-
]
|
| 1266 |
-
|
| 1267 |
-
def _generate_examples(self, filepath: str):
|
| 1268 |
-
data = pandas.read_csv(filepath).infer_objects()
|
| 1269 |
-
data = data.rename(columns={"Class": "is_toxic"})
|
| 1270 |
-
data = self.preprocess(data, config=self.config.name)
|
| 1271 |
-
|
| 1272 |
-
for row_id, row in data.iterrows():
|
| 1273 |
-
data_row = dict(row)
|
| 1274 |
-
|
| 1275 |
-
yield row_id, data_row
|
| 1276 |
-
|
| 1277 |
-
def preprocess(self, data: pandas.DataFrame, config: str = DEFAULT_CONFIG) -> pandas.DataFrame:
|
| 1278 |
-
data.loc[:, "is_toxic"] = data["is_toxic"].apply(lambda x: 1 if x == "Toxic" else 0)
|
| 1279 |
-
|
| 1280 |
-
return data
|
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toxicity/train.csv
ADDED
|
The diff for this file is too large to render.
See raw diff
|
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