| Calotropin from milk of Calotropis gigantean a potent inhibitor of COVID 19 corona virus infection by Molecular docking studies | Dec 11, 2020 | Drug DesignMolecular Docking | —Unverified | 0 |
| A Comparative Analysis of the Ensemble Methods for Drug Design | Dec 11, 2020 | Drug DesignDrug Discovery | CodeCode Available | 0 |
| Dr-COVID: Graph Neural Networks for SARS-CoV-2 Drug Repurposing | Dec 3, 2020 | Drug DesignGraph Neural Network | CodeCode Available | 0 |
| RetroGNN: Approximating Retrosynthesis by Graph Neural Networks for De Novo Drug Design | Nov 25, 2020 | Drug DesignRetrosynthesis | —Unverified | 0 |
| Inverted repeats in coronavirus SARS-CoV-2 genome and implications in evolution | Nov 24, 2020 | Drug Design | —Unverified | 0 |
| Ollivier persistent Ricci curvature (OPRC) based molecular representation for drug design | Nov 20, 2020 | BIG-bench Machine LearningDrug Design | CodeCode Available | 0 |
| Investigating 3D Atomic Environments for Enhanced QSAR | Oct 24, 2020 | Drug Design | CodeCode Available | 1 |
| Scaffold-constrained molecular generation | Sep 15, 2020 | Drug DesignDrug Discovery | —Unverified | 0 |
| Surveying the side-chain network approach to protein structure and dynamics: The SARS-CoV-2 spike protein as an illustrative case | Sep 9, 2020 | Drug Design | —Unverified | 0 |
| Pre-training of Graph Neural Network for Modeling Effects of Mutations on Protein-Protein Binding Affinity | Aug 28, 2020 | Drug DesignGraph Neural Network | —Unverified | 0 |
