Encoding mu-opioid receptor biased agonism with interaction fingerprints R. Bruno Hernández-AlvaradoAbraham Madariaga-MazónKarina Martinez-Mayorga OriginalPaper 29 October 2021 Pages: 1081 - 1093
Using diverse potentials and scoring functions for the development of improved machine-learned models for protein–ligand affinity and docking pose prediction Omar N. A. Demerdash OriginalPaper 28 October 2021 Pages: 1095 - 1123
Imputation of sensory properties using deep learning Samar MahmoudBenedict IrwinMatthew Segall OriginalPaper 30 October 2021 Pages: 1125 - 1140
Automated high throughput pKa and distribution coefficient measurements of pharmaceutical compounds for the SAMPL8 blind prediction challenge Matthew N. BahrAakankschit NandkeolyarDavid L. Mobley OriginalPaper 29 October 2021 Pages: 1141 - 1155
