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Machine learning on ligand-residue interaction profiles to significantly improve binding affinity prediction

Briefings in Bioinformatics(2021)10.1093/bib/bbab054Source: DataRank Database

Machine learning on ligand-residue interaction profiles to significantly improve binding affinity prediction is a research paper published in Briefings in Bioinformatics (2021). On theSindex it has a DataRank of 0. It has been cited 35 times.

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0DataRank · unranked

Scored on demand from live citation data

Open Access35 citations

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datarank_citation_only_1hop_v6· scope data_onlyMethodology

Pipeline:MetadataData-paper checkEnrichmentCitation networkScoring

Enrichment:Funding (3 grants)Impact (FWCI 3.17)OA: greenTopics (41)IDs (PubMed, PMC, OpenAlex)

FAIR Checklist

Context only (not used in score)

Findable (1/2)

Has DOI

Accessible (1/2)

Open Access

Interoperable (0/2)

Reusable (0/3)

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Authors (6)

Xibing He ORCID,Jingchen Zhai ORCID,Yuzhao Zhang ORCID,Viet Hoang Man ORCID,Junmei Wang ORCID

Live enrichment

PubMed:33758923 PMC:PMC8425425 OpenAlex:https://openalex.org/W3137067752

National Science Foundation

Grant: 1955260

National Institutes of Health

Grant: R01GM079383

National Institutes of Health

Grant: P30DA035778

FWCI

3.17

Citation Percentile

0.9%

Citation Trend

2021

2022

2023

2024

2025

2026

greenLicense: https://academic.oup.com/journals/pages/open_access/funder_policies/chorus/standard_publication_model

repositoryhttps://www.ncbi.nlm.nih.gov/pmc/articles/8425425

publisherhttp://academic.oup.com/bib/article-pdf/22/5/bbab054/40259481/bbab054.pdf

journalhttps://doi.org/10.1093/bib/bbab054

repositoryhttps://pubmed.ncbi.nlm.nih.gov/33758923

Fields of Study

Computational Drug Discovery MethodsMachine Learning in Materials ScienceProtein Structure and Dynamics

MeSH Terms

Deep LearningAlgorithmsCrystallizationDrug Evaluation, PreclinicalHumansLigandsProtein BindingProtein KinasesMolecular StructureDatabases, ProteinReceptors, G-Protein-CoupledDrug DiscoveryMolecular Docking Simulation

Keywords

Matthews correlation coefficientMean squared errorVirtual screeningComputer scienceRanking (information retrieval)Receiver operating characteristicArtificial intelligenceDrug discoveryRoot mean squareMean squared prediction errorMachine learningAlgorithmData miningMathematicsChemistryStatisticsSupport vector machinePhysicsBiochemistryBinding Affinity PredictionMachine Learning (Ml)Structure-based Virtual Screening (Sbvs)Scoring Function (Sf)Scoring PowerMachine Learning-based Scoring Function (Ml-based Sf)