Prediction of activity cliffs on the basis of images using convolutional neural networks Javed IqbalMartin VogtJürgen Bajorath OriginalPaper Open access 19 March 2021 Pages: 1157 - 1164
High-throughput virtual screening and preclinical analysis identifies CB-1, a novel potent dual B-Raf/c-Raf inhibitor, effective against wild and mutant variants of B-Raf expression in colorectal carcinoma Mesfer Al ShahraniMohammad AbohassanPrasanna Rajagopalan OriginalPaper 02 November 2021 Pages: 1165 - 1176
Design of new imidazole derivatives with anti-HCMV activity: QSAR modeling, synthesis and biological testing Vasyl KovalishynVolodymyr ZyabrevVolodymyr Brovarets OriginalPaper 12 November 2021 Pages: 1177 - 1187
Best practices for repurposing studies Richard A. Lewis Letter to the Editor 12 November 2021 Pages: 1189 - 1193
Fine tuning for success in structure-based virtual screening Emilie PihanMartin KotevConstantino Diaz Gonzalez OriginalPaper 20 November 2021 Pages: 1195 - 1206
