BioinformaticsJournal of Chemical Information and ModelingPeer-reviewed
Instance-Wise Contrastive Graph Neural Network Enables the Discovery of Novel Aedes aegypti Larvicidal Compounds
Karine Santana Lúcio da Costa, Gustavo Henrique Garcia Caldeira, Vinícius Alexandre Fiaia Costa…·Bruno Junior Neves
This paper introduces a contrastive graph neural network to discover novel larvicidal compounds against Aedes aegypti, identifying LC-79 as a potent and selective candidate.
DOI 10.1021/acs.jcim.6c02558