2 papers
q-bio.BM2020
Application and Assessment of Deep Learning for the Generation of Potential NMDA Receptor Antagonists
Katherine J. Schultz, Sean M. Colby, Yasemin Yesiltepe +3
Uncompetitive antagonists of the N-methyl D-aspartate receptor (NMDAR) have demonstrated therapeutic benefit in the treatment of neurological diseases such as Parkinson's and Alzhe…
q-bio.BM2019
Deep learning to generate in silico chemical property libraries and candidate molecules for small molecule identification in complex samples
Sean M. Colby, Jamie R. Nuñez, Nathan O. Hodas +2
Comprehensive and unambiguous identification of small molecules in complex samples will revolutionize our understanding of the role of metabolites in biological systems. Existing a…