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| Optimization of Tree Ensembles | May 30, 2017 | Drug Design | —Unverified | 0 | 0 |
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| Optimizing Drug Design by Merging Generative AI With Active Learning Frameworks | May 4, 2023 | Active LearningDrug Design | —Unverified | 0 | 0 |
| Overview of Current Type I/II Kinase Inhibitors | Nov 23, 2018 | Drug DesignVocal Bursts Type Prediction | —Unverified | 0 | 0 |
| ParaVS: A Simple, Fast, Efficient and Flexible Graph Neural Network Framework for Structure-Based Virtual Screening | Feb 8, 2021 | Drug DesignGraph Neural Network | —Unverified | 0 | 0 |
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| Persistent Dirac for molecular representation | Feb 5, 2023 | Drug Designmolecular representation | —Unverified | 0 | 0 |
| Persistent spectral based machine learning (PerSpect ML) for drug design | Feb 3, 2020 | BIG-bench Machine LearningDrug Design | —Unverified | 0 | 0 |
| Pharmacophore-Conditioned Diffusion Model for Ligand-Based De Novo Drug Design | May 15, 2025 | Drug DesignDrug Discovery | —Unverified | 0 | 0 |
| Pharmacophore-guided de novo drug design with diffusion bridge | Dec 10, 2024 | Drug DesignDrug Discovery | —Unverified | 0 | 0 |
| Pharmacoprint -- a combination of pharmacophore fingerprint and artificial intelligence as a tool for computer-aided drug design | Oct 4, 2021 | Dimensionality ReductionDrug Design | —Unverified | 0 | 0 |
| Phen-DC 3 Induces Refolding of Human Telomeric DNA into a Chair-Type Antiparallel G-Quadruplex through Ligand Intercalation | Jun 7, 2023 | Drug Design | —Unverified | 0 | 0 |
| PILOT: Equivariant diffusion for pocket conditioned de novo ligand generation with multi-objective guidance via importance sampling | May 23, 2024 | Drug DesignDrug Discovery | —Unverified | 0 | 0 |
