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NNKcat: deep neural network to predict catalytic constants (Kcat) by integrating protein sequence and substrate structure with enhanced data imbalance handling

Briefings in Bioinformatics(2025)10.1093/bib/bbaf212Source: DataRank Database

NNKcat: deep neural network to predict catalytic constants (Kcat) by integrating protein sequence and substrate structure with enhanced data imbalance handling is a research paper published in Briefings in Bioinformatics (2025). On theSindex it has a DataRank of 0. It has been cited 6 times.

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0DataRank · unranked

Scored on demand from live citation data

Open Access6 citations

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›Methodology & internals

datarank_citation_only_1hop_v6· scope data_onlyMethodology

Pipeline:MetadataData-paper checkEnrichmentCitation networkScoring

Enrichment:Funding (5 grants)Impact (FWCI 4.66)OA: goldTopics (29)IDs (PubMed, 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 (7)

Xiguang Qi ORCID,Lianjin Cai ORCID,Yue Liu ORCID,Hao Tang ORCID,Lei Xie ORCID

Live enrichment

PubMed:40370097 OpenAlex:https://openalex.org/W4410416225

National Science Foundation

Grant: R01GM149705

National Science Foundation

Grant: R01AG057555

National Science Foundation

Grant: 1955260

CDS&E: D3SC: Developing A Molecular Mechanics Modeling Platform (MMMP) for Studying Molecular Interactions

National Institutes of Health

Grant: 5R01GM149705-03

AI-Powered Biased Ligand Design

National Institutes of Health

Grant: 5R01AG057555-08

AI-Powered Quantitative Systems Pharmacology for AD Drug Repurposing

FWCI

4.66

Citation Percentile

1.0%

Citation Trend

2025

2026

goldLicense: cc-by-nc

journalhttps://academic.oup.com/bib/article-pdf/26/3/bbaf212/63183249/bbaf212.pdf

publisherhttps://academic.oup.com/bib/article-pdf/26/3/bbaf212/63183249/bbaf212.pdf

journalhttps://doi.org/10.1093/bib/bbaf212

repositoryhttps://pubmed.ncbi.nlm.nih.gov/40370097

repositoryhttps://www.ncbi.nlm.nih.gov/pmc/articles/12078937

Fields of Study

Computational Drug Discovery MethodsProtein Structure and DynamicsMachine Learning in Materials Science0206 medical engineering02 engineering and technology

MeSH Terms

AlgorithmsAmino Acid SequenceCatalysisProteinsSubstrate SpecificityNeural Networks, ComputerComputational Biology

Keywords

Enzyme kineticsComputer scienceOverfittingChemistryArtificial intelligenceArtificial neural networkEnzymeActive siteBiochemistryProblem Solving ProtocolProteinsComputational BiologyNeural Networks, ComputerAmino Acid SequenceCatalysisAlgorithmsSubstrate Specificity