1. Prediction of activity cliffs on the basis of images using convolutional neural networks

   • Javed Iqbal
   • Martin Vogt
   • Jürgen Bajorath

   OriginalPaper Open access 19 March 2021 Pages: 1157 - 1164

   

2. 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 Shahrani
   • Mohammad Abohassan
   • Prasanna Rajagopalan

   OriginalPaper 02 November 2021 Pages: 1165 - 1176

   

3. Design of new imidazole derivatives with anti-HCMV activity: QSAR modeling, synthesis and biological testing

   • Vasyl Kovalishyn
   • Volodymyr Zyabrev
   • Volodymyr Brovarets

   OriginalPaper 12 November 2021 Pages: 1177 - 1187

4. Best practices for repurposing studies

   • Richard A. Lewis

   Letter to the Editor 12 November 2021 Pages: 1189 - 1193

5. Fine tuning for success in structure-based virtual screening

   • Emilie Pihan
   • Martin Kotev
   • Constantino Diaz Gonzalez

   OriginalPaper 20 November 2021 Pages: 1195 - 1206