Table 9.
Available ADME/T prediction programs.
| Program | Developed by | Free for academia | Prediction Spectrum | Ref. |
|---|---|---|---|---|
| ADMET Predictor |
Simulations Plus, Inc. | No† | ADME/T | [279] |
| StarDrop | Optibrium, Ltd | No | ADME/T | [280] |
| ADME Suite Tox Suite |
Advanced Chemistry Development, Inc. | No | ADME Toxicity | [281] |
| ADMEWORKS Predictor |
Fujitsu FQS | No | ADME/T | [282] |
| Sarchitect | Strand Life Sciences | No | ADME/T | [283] |
| QikProp | Schrödinger, Inc. | No | ADME/T | |
| TOPKAT | Accelrys, Inc. | No | Toxicity | |
| Leadscope | Leadscope, Inc. | No | Toxicity | [284] |
| Meteor Derek Nexus |
Lhasa, Ltd | No | Metabolism Toxicity |
[285] |
| PASS | Russian Academy of Medical Sciences | No | Toxicity | [286] |
| HazardExpert Pro MetabolExpert ToxAlert MEXAlert RetroMex |
CompuDrug, Ltd | No | Toxicity Metabolism Toxicity Metabolism Metabolism |
[287] |
| METAPC CASETOX |
Multicase, Inc. | No | Metabolism Toxicity |
[288] |
| VolSurf+ MetaSite |
Molecular Discovery, Ltd. | No | ADME Metabolism |
[289] |
| Bioclipse | Uppsala University, Sweden and European Bioinformatics Institute | Yes | Metabolism | [290] |
| MetaDrug | GeneGo, Inc. | No | Metabolism/Toxicity | [291] |
| TIMES | OASIS Lmc | No | Metabolism/Toxicity | [292] |
†
MedChem Designer of Simulations Plus is free to access. MedChem Designer can predict a few ADME/T properties.