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| Y-Mol: A Multiscale Biomedical Knowledge-Guided Large Language Model for Drug Development | Oct 15, 2024 | Drug DesignKnowledge Graphs | —Unverified | 0 | 0 |
| Multi-objective generative AI for designing novel brain-targeting small molecules | Apr 16, 2024 | Drug DesignGraph Neural Network | —Unverified | 0 | 0 |
| GNN-SKAN: Harnessing the Power of SwallowKAN to Advance Molecular Representation Learning with GNNs | Aug 2, 2024 | Computational EfficiencyDrug Design | —Unverified | 0 | 0 |
| Evolutionary training-free guidance in diffusion model for 3D multi-objective molecular generation | May 16, 2025 | DenoisingDrug Design | —Unverified | 0 | 0 |
| 3D Molecular Generation via Virtual Dynamics | Feb 12, 2023 | Drug DesignDrug Discovery | —Unverified | 0 | 0 |
| A 3D pocket-aware and evolutionary conserved interaction guided diffusion model for molecular optimization | May 9, 2025 | Drug Design | —Unverified | 0 | 0 |
| Accurate Free Energy Estimations of Molecular Systems Via Flow-based Targeted Free Energy Perturbation | Feb 23, 2023 | Drug Design | —Unverified | 0 | 0 |
| A Comprehensive Review of Emerging Approaches in Machine Learning for De Novo PROTAC Design | Jun 24, 2024 | Drug DesignDrug Discovery | —Unverified | 0 | 0 |
| A Comprehensive Review of Generative AI in Healthcare | Oct 1, 2023 | DiagnosticDrug Design | —Unverified | 0 | 0 |
