Identifying Molecular Fragments That Drive 7-Dehydrocholesterol Elevation.
PMID:35059566
ProTox-II: a webserver for the prediction of toxicity of chemicals.
PMID:29718510
Predicting anatomic therapeutic chemical classification codes using tiered learning.
PMID:28617230
pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures.
PMID:25860834
SuperPred: update on drug classification and target prediction.
PMID:24878925
ProTox: a web server for the in silico prediction of rodent oral toxicity.
PMID:24838562
molBLOCKS: decomposing small molecule sets and uncovering enriched fragments.
PMID:24681908
Open Babel: An open chemical toolbox.
PMID:21982300