ReviewJournal of chemical information and modeling2022
Delta Machine Learning to Improve Scoring-Ranking-Screening Performances of Protein-Ligand Scoring Functions.
Review in Journal of chemical information and modeling, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 33 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
33 citing papers in PubMed.
- Critical Artifacts Improve Reproducibility of Protein-Ligand Binding Affinity Prediction Models on CASF-2016.Journal of chemical information and modeling · 2026Article
- Structure-aware artificial intelligence for next-generation drug discovery: from protein-ligand modeling to generative biomolecular design.Briefings in bioinformatics · 2026Review
- BA-Pred and RMSD-Pred: Integrated Graph Neural Network Models for Accurate Protein-Ligand Binding Affinity and Binding Pose Prediction.Journal of chemical information and modeling · 2026Article
- Article
- Article
- Extremely Randomized Trees to Determine Binding Affinity.Methods in molecular biology (Clifton, N.J.) · 2026Article
- Molegro Virtual Docker for Docking Screens.Methods in molecular biology (Clifton, N.J.) · 2026Article
- A fragment based approach towards curating, comparing and developing machine learning models applied in photochemistry.Chemical science · 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
- Comparative Analysis of Quantum-Mechanical and Standard Single-Structure Protein-Ligand Scoring Functions with MD-Based Free Energy Calculations.Journal of chemical information and modeling · 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
- Harnessing pre-trained models for accurate prediction of protein-ligand binding affinity.BMC bioinformatics · 2025Article
- Normalized Protein-Ligand Distance Likelihood Score for End-to-End Blind Docking and Virtual Screening.Journal of chemical information and modeling · 2025Article
- SPRank─A Knowledge-Based Scoring Function for RNA-Ligand Pose Prediction and Virtual Screening.Journal of chemical theory and computation · 2024Article
- A Repurposed Drug Interferes with Nucleic Acid to Inhibit the Dual Activities of Coronavirus Nsp13.ACS chemical biology · 2024Article
- Multiscale topology-enabled structure-to-sequence transformer for protein-ligand interaction predictions.Nature machine intelligence · 2024Article
- Geometry Optimization Algorithms in Conjunction with the Machine Learning Potential ANI-2x Facilitate the Structure-Based Virtual Screening and Binding Mode Prediction.Biomolecules · 2024Article
- Gender potentially affects early postoperative hyponatremia in pituitary adenoma: XGBoost-based predictive modeling.Heliyon · 2024Article
- A new paradigm for applying deep learning to protein-ligand interaction prediction.Briefings in bioinformatics · 2024Article
Corrections and comments
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Authors and funding
2 authors.
Funding
Abstract
Protein-ligand scoring functions are widely used in structure-based drug design for fast evaluation of protein-ligand interactions, and it is of strong interest to develop scoring functions with machine-learning approaches. In this work, by expanding the training set, developing physically meaningful features, employing our recently developed linear empirical scoring function Lin_F9 (Yang, C.
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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.