Interpretable-ADMET: a web service for ADMET prediction and optimization based on deep neural representation.MOTIVATION
 In interpretable-ADMET, there are 250 729 entries associated with 59 kinds of ADMET-associated properties for 80 167 chemical compounds.  In addition to making predictions, interpretable-ADMET provides interpretation models based on gradient-weighted class activation map for identifying the substructure, which is important to the particular property.  Interpretable-ADMET also provides an optimize module to automatically generate a set of novel virtual candidates based on matched molecular pair rules.  We believe that interpretable-ADMET could serve as a useful tool for lead optimization in drug discovery.


 Interpretable-ADMET is available at http://cadd.pharmacy.nankai.edu.cn/interpretableadmet/.



Interpretable-ADMET