ArticleChemical science2022
PIGNet: a physics-informed deep learning model toward generalized drug-target interaction predictions.
Article in Chemical science, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 72 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
72 citing papers in PubMed.
- A Unified Hierarchical Multiscale Fusion Framework for Drug-Target Affinity Prediction: From Benchmark Performance to Nanomolar Inhibitor Discovery.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026Article
- Machine Learning for RNA-Targeting Drug Design.Journal of chemical information and modeling · 2026Review
- Meta-learning GNN with MD-informed attention for cross-species prediction of phosphoinositide-dependent kinase-1 (PdK1) inhibitors in termite control.Journal of molecular modeling · 2026Article
- Structure-aware artificial intelligence for next-generation drug discovery: from protein-ligand modeling to generative biomolecular design.Briefings in bioinformatics · 2026Review
- Graph-based drug-target interaction modeling: from representation learning to output-driven drug discovery.Briefings in bioinformatics · 2026Review
- Article
- The LiPP Benchmark Set for Modeling Lipid-Protein Complexes: Comparison of Co-Folding and Docking Methods.Journal of chemical information and modeling · 2026Article
- GRIPHIN: grids of pharmacophore interaction fields for affinity prediction.Journal of cheminformatics · 2026Article
- More Accurate Binding Affinity Prediction Using Protein Homology and Ligand-Based Transfer Learning.Journal of chemical information and modeling · 2026Article
- Leak Proof PDBBind: A Reorganized Data Set of Protein-Ligand Complexes for More Generalizable Binding Affinity Prediction.The journal of physical chemistry. B · 2026Article
- Structure-informed machine learning for drug discovery: a task-centric perspective.Briefings in bioinformatics · 2026Review
- Artificial intelligence-driven drug discovery: a deep learning paradigm shift in pharmaceutical research and development.Frontiers in pharmacology · 2026Review
- Advancing PROTAC Discovery Through Artificial Intelligence: Opportunities, Challenges, and Future Directions.Pharmaceuticals (Basel, Switzerland) · 2025Review
- Assessing Computational Strategies for the Evaluation of Antibody Binding Affinities.Journal of chemical theory and computation · 2025Article
- Bioactivity Deep Learning for Complex Structure-Free Compound-Protein Interaction Prediction.Journal of chemical information and modeling · 2025Article
- Hierarchical affinity landscape navigation through learning a shared pocket-ligand space.Patterns (New York, N.Y.) · 2025Article
- Beyond rigid docking: deep learning approaches for fully flexible protein-ligand interactions.Briefings in bioinformatics · 2025Review
- Spatio-temporal learning from molecular dynamics simulations for protein-ligand binding affinity prediction.Bioinformatics (Oxford, England) · 2025Article
- An inductive learning-based method for predicting drug-gene interactions using a multi-relational drug-disease-gene graph.Journal of pharmaceutical analysis · 2025Article
- Using Deep Graph Neural Networks Improves Physics-Based Hydration Free Energy Predictions Even for Molecules Outside of the Training Set Distribution.The journal of physical chemistry. B · 2025Article
12 more citing papers are in PubMed but not listed here.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Recently, deep neural network (DNN)-based drug-target interaction (DTI) models were highlighted for their high accuracy with affordable computational costs. Yet, the models' insufficient generalization remains a challenging problem in the practice of
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.