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| Diversity-Aware Reinforcement Learning for de novo Drug Design | Oct 14, 2024 | DiversityDrug Design | —Unverified | 0 | 0 |
| 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 | 0 |
| Diverse Mini-Batch Selection in Reinforcement Learning for Efficient Chemical Exploration in de novo Drug Design | Jun 26, 2025 | Drug DesignDrug Discovery | —Unverified | 0 | 0 |
| Direct Coupling Analysis of Epistasis in Allosteric Materials | Mar 13, 2020 | Drug Design | —Unverified | 0 | 0 |
| Diffusion Models in De Novo Drug Design | Jun 7, 2024 | Computational chemistryDenoising | —Unverified | 0 | 0 |
| Boltzmann-Aligned Inverse Folding Model as a Predictor of Mutational Effects on Protein-Protein Interactions | Oct 12, 2024 | Drug DesignInductive Bias | —Unverified | 0 | 0 |
| Diffusing on Two Levels and Optimizing for Multiple Properties: A Novel Approach to Generating Molecules with Desirable Properties | Oct 5, 2023 | Drug Design | —Unverified | 0 | 0 |
| BioTD: an online database of biotoxins | Dec 28, 2024 | Drug DesignDrug Discovery | —Unverified | 0 | 0 |
| Development of a Fragment-Based Machine Learning Algorithm for Designing Hybrid Drugs Optimized for Permeating Gram-Negative Bacteria | Jul 29, 2019 | Drug Design | —Unverified | 0 | 0 |
