| Beyond Chemical QA: Evaluating LLM's Chemical Reasoning with Modular Chemical Operations | May 27, 2025 | Chemical Reaction PredictionDrug Design | —Unverified | 0 | 0 |
| Binding Affinity Prediction: From Conventional to Machine Learning-Based Approaches | Sep 30, 2024 | Drug DesignDrug Discovery | —Unverified | 0 | 0 |
| BioTD: an online database of biotoxins | Dec 28, 2024 | Drug DesignDrug Discovery | —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 |
| 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 |
| CavDetect: A DBSCAN Algorithm based Novel Cavity Detection Model on Protein Structure | Jul 25, 2024 | Drug Design | —Unverified | 0 | 0 |
| HelixMO: Sample-Efficient Molecular Optimization in Scene-Sensitive Latent Space | Nov 30, 2021 | Drug DesignDrug Discovery | —Unverified | 0 | 0 |
| Cellular forgetting, desensitisation, stress and aging in signalling networks. When do cells refuse to learn more? | Dec 28, 2023 | Change DetectionDrug Design | —Unverified | 0 | 0 |
| Challenges ahead Electron Microscopy for Structural Biology from the Image Processing point of view | Jan 2, 2017 | Drug DesignSingle Particle Analysis | —Unverified | 0 | 0 |
| Combating small molecule aggregation with machine learning | May 1, 2021 | BIG-bench Machine LearningDrug Design | —Unverified | 0 | 0 |
