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| Pharmacophore-guided de novo drug design with diffusion bridge | Dec 10, 2024 | Drug DesignDrug Discovery | —Unverified | 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 |
| 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 |
| 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 |
| PlayMolecule Viewer: a toolkit for the visualization of molecules and other data | Dec 22, 2023 | Data VisualizationDrug Design | —Unverified | 0 |
| PointGAT: A quantum chemical property prediction model integrating graph attention and 3D geometry | Oct 8, 2023 | 3D geometryComputational chemistry | —Unverified | 0 |
| Position: Graph Learning Will Lose Relevance Due To Poor Benchmarks | Feb 20, 2025 | BenchmarkingCombinatorial Optimization | —Unverified | 0 |
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