Interpretable-ADMET: a Web Service for ADMET Prediction and Optimization based on Deep Neural Representation.
Sign Up to like & getrecommendations! Published in 2022 at "Bioinformatics"
DOI: 10.1093/bioinformatics/btac192
Abstract: MOTIVATION In the process of discovery and optimization of lead compounds, it is difficult for non-expert pharmacologists to intuitively determine the contribution of substructure to a particular property of a molecule. RESULTS In this work,… read more here.
Keywords: web service; interpretable admet; optimization;