Here we describe the development of novel methods for compound evaluation and prioritization based on the structure–activity relationship matrix (SARM) framework. The SARM data structure allows automa
The monoamine oxidase (MAO) enzyme class is a prevalent target for many neurodegenerative and depressive disorders. Even though scrutinization of many promising drugs for the treatment of MAO inhibiti
Promiscuous inhibition of the human ether-à-go-go-related gene (hERG) potassium channel by drugs poses a major risk for life threatening arrhythmia and costly drug withdrawals. Current knowledge of th
