| ADMET-AI | Web interface for predicting the Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) properties of molecules using machine learning models. |
| Biotransformer | Software tool that predicts small molecule metabolism in mammals, their gut microbiota, as well as the soil/aquatic microbiota. |
| CYPlebrity | Machine learning models for the prediction of inhibitors of cytochrome P450 enzymes |
| CYPstrate | Predicting substrates in the CYP mediated phase I metabolism of xenobiotics |
| FAME3R | Prediction of Phase 1 and Phase 2 Sites of Metabolism (SOMs) |
| GLORY | Predicting Cytochrome P450 Metabolites |
| GLORYx | Predicting Phase I and Phase II Metabolites |
| Hit Dexter 3 | Hit Dexter is a machine learning approach to estimate how likely a small molecule is to trigger a positive response in biochemical and biological assays. |
| MetaSite | Predicts metabolic transformations related to cytochrome and flavin-containing monooxygenase mediated reactions in phase I metabolism. |
| NP-Scout | Identification of natural products in large molecular libraries |
| Pathway Tools | Software package for genome informatics and systems biology associated with the BioCyc database. Pathway Tools supports creation, editing, querying, visualization, and analysis of PGDBs (ProteoGenomics database). |
| SMARTCyp | Site of Metabolism prediction for Cytochrome P450s |
| Trialblazer | Predicting Toxicity Risks in Late-Stage Drug Development |
| admetSAR | Interface to search for ADME/T (Absorption, Distribution, Metabolism, Excretion, and Toxicity) properties profiling. |
