toxCSM Data


36 datasets representing distinct toxicity categories



Name  
  (Click to Download)
Description Category Learning  
  Task
Samples  
 (Non-Toxic/Toxic)
Generated  
  Features
Source
NR-AhR
Details Nuclear Response Classification 6876 (6088/788) 1019 Huang et al., 2016
NR-AR
Details Nuclear Response Classification 7583 (7307/276) 530 Huang et al., 2016
NR-AR-LBD
Details Nuclear Response Classification 6922 (6698/224) 464 Huang et al., 2016
NR-Aromatase
Details Nuclear Response Classification 5961 (5664/297) 532 Huang et al., 2016
NR-ER
Details Nuclear Response Classification 6437 (5725/712) 953 Huang et al., 2016
NR-ER-LBD
Details Nuclear Response Classification 7133 (6813/320) 551 Huang et al., 2016
NR-GR
Details Nuclear Response Classification 6055 (5454/601) 803 Sun et al., 2019
NR-TR
Details Nuclear Response Classification 5372 (4999/373) 598 Sun et al., 2019
NR-PPAR-gamma
Details Nuclear Response Classification 6602 (6418/184) 428 Huang et al., 2016
SR-ARE
Details Stress Response Classification 5956 (5014/942) 1110 Huang et al., 2016
SR-ATAD5
Details Stress Response Classification 7251 (6999/252) 489 Huang et al., 2016
SR-HSE
Details Stress Response Classification 6613 (6257/356) 583 Huang et al., 2016
SR-MMP
Details Stress Response Classification 6094 (5163/931) 1163 Huang et al., 2016
SR-p53
Details Stress Response Classification 7112 (6686/426) 676 Huang et al., 2016
Micronucleos
Details Genomic Classification 641 (377/264) 500 Fan et al., 2018
AMES Mutagenesis
Details Genomic Classification 8102 (3470/4632) 4431 Xu et al., 2012
Carcinogenesis
Details Genomic Classification 278 (220/58) 315 Li et al., 2015
Fathead Minnow
Details Environmental Classification 554 (188/366) 592 Fei-xiong et al., 2010
Fathead Minnow (pLC50)
Details Environmental Regression 554 (-) 364 Fei-xiong et al., 2010
T. Pyriformis
Details Environmental Classification 1571 (354/1217) 1358 Cheng et al., 2011
T. Pyriformis (pIGC50)
Details Environmental Regression 1571 (-) 544 Cheng et al., 2011
Rat (Chronic Oral, LOAEL)
Details Environmental Regression 452 (-) 344 Mazzatorta et al., 2008
Rat (Acute, LD50)
Details Environmental Regression 10143 (-) 2089 Zhu et al., 2009
Honey Bee
Details Environmental Classification 195 (96/99) 352 Fei-xiong et al., 2010
Biodegradation
Details Environmental Classification 1592 (1007/585) 789 Cheng et al., 2012
Crustacean
Details Environmental Classification 1020 (487/533) 742 Cao et al., 2018
Avian
Details Environmental Classification 591 (501/90) 344 Zhang et al., 2015
Maximum Tolerated Dose (log mg/kg/day)
Details Dose Response Regression 1213 (-) 469 Liu et al., 2012
Skin Sensitisation
Details Organic Classification 404 (130/274) 509 Alves et al, 2015
hERG_I Inhibitor
Details Organic Classification 368 (289/79) 334 Marchese et al., 2011
hERG_II Inhibitor
Details Organic Classification 806 (373/433) 652 Wang et al., 2012
Liver Injury I
Details Organic Classification 515 (277/238) 477 Fourches et al., 2010
Liver Injury II
Details Organic Classification 960 (670/290) 524 Mulliner et al., 2016
Eye Irritation
Details Organic Classification 5220 (1346/3874) 3749 Wang et al., 2017
Eye Corrosion
Details Organic Classification 2299 (1412/887) 1061 Wang et al., 2017
Respiratory Disease
Details Organic Classification 2529 (1089/1440) 1559 Wang et al., 2021