repoGitHubTrust 82 · PrimaryPublished 1mo agoLive · 3d ago
rdk/p2rank
P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.
Lineage graph
Paper → model → repo connections mined from source citations (Tier-1 exact match).
Why these links exist
Every edge carries a method, confidence, and the source snippet that justified it — so bad links are debuggable.
- PossiblePossibly related (embedding) · 62%Reshaping biomolecular structure prediction through strategic conformational exploration with HelixFold-S1 →
- PossiblePossibly related (embedding) · 54%An Additive MLP-GNN Framework for Characterizing Chemical and Structural Contributions to Aqueous Solubility →
- PossiblePossibly related (embedding) · 54%Beyond Drug Discovery: The Nanotechnology Molecular Optimization (NMO) Benchmark →
- PossiblePossibly related (embedding) · 52%Bridging three-dimensional molecular structures and artificial intelligence with a conformation description language →
- PossiblePossibly related (embedding) · 50%Explainable AI for Cancer Drug Response Prediction: Beyond Univariate Feature Attributions →
- PossiblePossibly related (embedding) · 58%Quantitative and interface-aware prediction of peptide–protein interactions by VITAL →
- PossiblePossibly related (embedding) · 45%Predicting Therapeutic Outcome via Aligning Patient-Specific Knowledge Graph and Gene-Level Perturbation Representations →
- PossiblePossibly related (embedding) · 52%AI in chemogenomics: Predicting drug-target interactions at scale - Drug Discovery News →
Covers
Implements
Covers (incoming)
newsQuantitative and interface-aware prediction of peptide–protein interactions by VITALnewsAI in chemogenomics: Predicting drug-target interactions at scale - Drug Discovery NewsnewsMachine learning for drug metabolism prediction: CYPs, Phase II enzymes, and metabolite ID - Drug Discovery NewsnewsMachine learning predictions for microbial eukaryotic plankton: implications from unevenly structured data - FrontiersnewsAutomated Assignment and Prediction of Molecules in Astronomical Line Surveys Using Machine-Learning-Based Chemical Embeddings - Astrobiology WebnewsMachine learning predicts tuberculosis drug resistance from whole genomes, review finds - Bioengineer.org
Implements (incoming)
Related across the graph
paperBeyond Drug Discovery: The Nanotechnology Molecular Optimization (NMO) BenchmarknewsMachine learning predicts tuberculosis drug resistance from whole genomes, review finds - Bioengineer.orgnewsReshaping biomolecular structure prediction through strategic conformational exploration with HelixFold-S1newsQuantitative and interface-aware prediction of peptide–protein interactions by VITALpaperPredicting Therapeutic Outcome via Aligning Patient-Specific Knowledge Graph and Gene-Level Perturbation Representationspaper$\mathtt{Q^2SAR}$: overcoming classical bottlenecks in drug discovery via quantum multiple kernel learningpaperExplainable AI for Cancer Drug Response Prediction: Beyond Univariate Feature AttributionsnewsAI in chemogenomics: Predicting drug-target interactions at scale - Drug Discovery NewspaperAn Additive MLP-GNN Framework for Characterizing Chemical and Structural Contributions to Aqueous SolubilitynewsMachine learning predictions for microbial eukaryotic plankton: implications from unevenly structured data - FrontiersnewsBridging three-dimensional molecular structures and artificial intelligence with a conformation description languagenewsMachine learning for drug metabolism prediction: CYPs, Phase II enzymes, and metabolite ID - Drug Discovery NewsnewsAutomated Assignment and Prediction of Molecules in Astronomical Line Surveys Using Machine-Learning-Based Chemical Embeddings - Astrobiology Web