| Language models in molecular discovery | Sep 28, 2023 | ChatbotComputational chemistry | —Unverified | 0 | 0 |
| Lattice Protein Folding with Variational Annealing | Feb 28, 2025 | Combinatorial OptimizationDrug Design | —Unverified | 0 | 0 |
| Learning of signaling networks: molecular mechanisms | Jan 31, 2020 | Drug Design | —Unverified | 0 | 0 |
| Learning Protein Dynamics with Metastable Switching Systems | Oct 5, 2016 | Drug Design | —Unverified | 0 | 0 |
| Learning to design drug-like molecules in three-dimensional space using deep generative models | Apr 17, 2021 | Drug Designvalid | —Unverified | 0 | 0 |
| Learning to Search for Fast Maximum Common Subgraph Detection | Jan 1, 2021 | Cloud ComputingDrug Design | —Unverified | 0 | 0 |
| Learning to SMILE(S) | Feb 19, 2016 | Activity PredictionDrug Design | —Unverified | 0 | 0 |
| Leveraging Active Subspaces to Capture Epistemic Model Uncertainty in Deep Generative Models for Molecular Design | Apr 30, 2024 | Bayesian InferenceDiversity | —Unverified | 0 | 0 |
| Leveraging Latent Evolutionary Optimization for Targeted Molecule Generation | Jul 2, 2024 | Drug DesignDrug Discovery | —Unverified | 0 | 0 |
| Leveraging Partial SMILES Validation Scheme for Enhanced Drug Design in Reinforcement Learning Frameworks | May 1, 2025 | Deep Reinforcement LearningDrug Design | —Unverified | 0 | 0 |