| Deep Manifold Transformation for Protein Representation Learning | Jan 12, 2024 | Drug DesignRepresentation Learning | —Unverified | 0 | 0 |
| Best Arm Identification in Generalized Linear Bandits | May 20, 2019 | Drug Design | —Unverified | 0 | 0 |
| A Ligand-and-structure Dual-driven Deep Learning Method for the Discovery of Highly Potent GnRH1R Antagonist to treat Uterine Diseases | Jul 23, 2022 | Activity PredictionDrug Design | —Unverified | 0 | 0 |
| Improving Targeted Molecule Generation through Language Model Fine-Tuning Via Reinforcement Learning | May 10, 2024 | Drug DesignLanguage Modeling | —Unverified | 0 | 0 |
| Deep learning is competing random forest in computational docking | Aug 23, 2016 | Deep LearningDrug Design | —Unverified | 0 | 0 |
| Improving Molecular Graph Generation with Flow Matching and Optimal Transport | Nov 8, 2024 | Drug DesignGraph Generation | —Unverified | 0 | 0 |
| Deep Lead Optimization: Leveraging Generative AI for Structural Modification | Apr 30, 2024 | Drug Design | —Unverified | 0 | 0 |
| ImmunoLingo: Linguistics-based formalization of the antibody language | Sep 26, 2022 | Drug DesignSpecificity | —Unverified | 0 | 0 |
| DeepIso: A Deep Learning Model for Peptide Feature Detection | Dec 9, 2017 | Deep LearningDrug Design | —Unverified | 0 | 0 |
| Ideal gas behavior of rotamerically defined conformers in native globular proteins | Apr 30, 2015 | Drug DesignProtein Design | —Unverified | 0 | 0 |
