Table 6 Web tools related with ADMET prediction
Tools | Availability | Batch computation | Endpoints | Database | Druglikeness rules | Druglikeness model | Systematic evaluation | Suggestions |
|---|---|---|---|---|---|---|---|---|
ADMETlab | Free | Yes | Number: 31 Contents: B, A, D, M, E, T* | Yes (288,967 entries; 5 similarity searching strategies) | Yes (5 rules) | Yes | Yes | Yes |
lazar [41] | Free | No | Number: 3 Contents: T: Acute toxicity; BBB; Carcinogenicity | No | No | No | No | No |
admetSAR [42] | Free | No | Number: 27 Contents: B, A, D, M, E, T | Yes (210,000 entries) | No | No | Yes | No |
PreADMET [43] | Free or commercial | No | Number: 19 Contents: B, A, D, M, T | No | Yes | No | No | No |
FAF-Drugs4 [44] | Free | Yes | Mainly filtering compounds by their descriptors and basic properties | No | Yes | No | No | No |
pkCSM [12] | Free | Yes | Number: 30 Contents: B, A, D, M, E, T | No | No | No | Yes | No |
SwissADME [45] | Free | Yes | Number: 19 Contents: B, A, D, M | No | Yes | No | Yes | No |
VCCLAB [46] | Free | Yes | Number: 14 Contents: B (Different LogP, LogS and pKa from different theories) | No | No | No | No | No |
Molinspiration [47] | Free | No | 5 bioactivities, miLogP and 8 molecular descriptors | No | No | No | No | No |
vNN-ADMET [48] | Registration required | No | Number: 14 Contents: A, D, M, T | No | No | No | No | No |