pkCSM
BioSig Lab (University of Queensland)
Predicts 28 PK and toxicity properties using graph-based molecular signatures. Long-standing academic reference tool.
Best For
Academic cross-validation alongside SwissADME
License
Free web server
Strengths
- +28 models
- +Graph-based signatures
- +Widely cited
Limitations
- −Training data pre-2015
- −No batch API
- −Superseded by Deep-PK
R&D Pipeline Coverage
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Deep learning successor to pkCSM. Predicts 73 endpoints using GNNs with molecular optimization and interpretability outputs.
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SwissADME
Swiss Institute of Bioinformatics (SIB)
Predicts pharmacokinetics, drug-likeness, and medicinal chemistry friendliness. Known for the BOILED-Egg visualization and Bioavailability Radar.
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