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Table 6 Web tools related with ADMET prediction

From: ADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET database

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
  1. *The “B, A, D, M, E, T” refers the contents in the “Documentation” section of our website. A tool that marked “A” means it covers some endpoints of class “A”, not all endpoints of class “A”