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

ABSTRACT: Current pharmaceutical research and development (R&D) is a high-risk investment which is usually faced with some unexpected even disastrous failures in different stages of drug discovery. One main reason for R&D failures is the efficacy and safety deficiencies which are related largely to absorption, distribution, metabolism and excretion (ADME) properties and various toxicities (T). Therefore, rapid ADMET evaluation is urgently needed to minimize failures in the drug discovery process. Here, we developed a web-based platform called ADMETlab for systematic ADMET evaluation of chemicals based on a comprehensively collected ADMET database consisting of 288,967 entries. Four function modules in the platform enable users to conveniently perform six types of drug-likeness analysis (five rules a

SUBMITTER: Dong J 

PROVIDER: S-EPMC6020094 | biostudies-literature | 2018 Jun

REPOSITORIES: biostudies-literature