| A Constraint Programming Approach to Weighted Isomorphic Mapping of Fragment-based Shape Signatures | Dec 20, 2021 | Drug Design | —Unverified | 0 |
| Learning to Detect Critical Nodes in Sparse Graphs via Feature Importance Awareness | Dec 3, 2021 | Drug DesignFeature Importance | —Unverified | 0 |
| HelixMO: Sample-Efficient Molecular Optimization in Scene-Sensitive Latent Space | Nov 30, 2021 | Drug DesignDrug Discovery | —Unverified | 0 |
| Equivalent Distance Geometry Error for Molecular Conformation Comparison | Nov 13, 2021 | Drug Design | CodeCode Available | 0 |
| AI challenges for predicting the impact of mutations on protein stability | Nov 8, 2021 | Computational EfficiencyDrug Design | —Unverified | 0 |
| Structure-aware generation of drug-like molecules | Nov 7, 2021 | Drug Design | —Unverified | 0 |
| De Novo Molecular Generation with Stacked Adversarial Model | Oct 24, 2021 | Drug Designvalid | —Unverified | 0 |
| Molecular Graph Generation via Geometric Scattering | Oct 12, 2021 | Drug DesignGraph Generation | —Unverified | 0 |
| An In-depth Summary of Recent Artificial Intelligence Applications in Drug Design | Oct 10, 2021 | Drug DesignGenerative Adversarial Network | —Unverified | 0 |
| Mining for Potent Inhibitors through Artificial Intelligence and Physics: A Unified Methodology for Ligand Based and Structure Based Drug Design | Oct 5, 2021 | Deep Reinforcement LearningDrug Design | —Unverified | 0 |
