Application and assessment of deep learning for the generation of potential NMDA receptor antagonists.
Physical chemistry chemical physics : PCCP January 21, 2021 Katherine J Schultz, Sean M Colby, Yasemin Yesiltepe et al.
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 Alzheimer's, but some also cause dissociative effects that have led to the synthesis of illicit drugs. The ability to generate NMDAR antagonists in silico is therefore desirable for both new medication development and...