Curated Datasets
| Dataset Name | Total | Unit | Original Source | Curation Source |
| BBB_curated (Blood Brain Barrier) |
442 | logBB |
Muehlbacher et al. 2011 Vilar et al. 2010 Hou et al. 2003 Abraham et al. 2006 |
Wang et al. 2015 |
| BCRP_curated (Breast Cancer Resistance Protein) |
390 | µM (evidence of inhibition at 10 µM) |
Matsson et al. 2007 Colabufo et al. 2009 Cramer et al. 2007 |
Sedykh et al. 2012 Zhao et al. 2017 |
| Bioavailability_curated | 1200 | oral bioavailability (%F) |
Moda et al. 2007 Tian et al. 2011 Hou et al. 2007 Tingjun et al. 2009 Zhu et al. 2011 Benet et al. 2011 |
Kim et al. 2013 |
| BSEP_curated (Bile Salt Export Pump) |
798 | µM (evidence of inhibition at 100 µM) |
Mak et al. 2015 | Zhao et al. 2017 |
| Cancer_curated | 2783 | Multiple values | Mills et al. 1998 | Chung et al. 2023 |
| Cosmetics_curated | 4378 | --- | Yang et al. 2021 | Chung et al. 2023 |
| DART_curated (Developmental and Reproductive Toxicity) |
806 | Multiple values |
Knudsen et al. 2009 European Chemicals Agency ToxRefDB Wu et al. 2013 |
Ciallella et al. 2022 |
| Drugbank_curated | 9119 | Multiple values | DrugBank | Chung et al. 2023 |
| Embryotox_curated | 865 | Binary Labels (1:Safe;0: Teratogen) | Australian Therapeutic Goods Administration (TGA) | Aljarf et al. 2023 |
| Estrogen_curated | 1960 | Multiple values |
Shen et al. 2013 Endocrine Disruptor Screening Program |
Ciallella et al. 2022 |
| FM_curated (Fathead Minnow) |
678 | -log10 of Conc. (µmol/L) | Klopman et al. 2003 | -- |
| Hepatotoxicity_curated | 3954 | Binary Labels | Mulliner et al. 2016 | -- |
| Httk_ADME_Parameters_curated | 1610 | Multiple values | High-Throughput Toxicokinetics | -- |
| LD50_curated (Rat oral) |
12233 | -log10 mol/kg-bw | Zhu et al. 2009 | -- |
| MDR1_curated (Multidrug Resistance 1 transporter) |
1479 | µM (evidence of inhibition at 10 µM) |
Sedykh et al. 2012 | -- |
| Pesticides_curated | 1084 | -- |
Richard et al. 2016 Lewis et al. 2016 EU Pesticides Database Network Academic Resources of Pesticide Ministry of Health, Labour and Welfare Alan Wood’s Website |
Chung et al. 2023 |