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A semiempirical and machine learning approach for fragment-based structural analysis of non-hydroxamate HDAC3 inhibitors

Biophysical Chemistry(2025)10.1016/j.bpc.2025.107409Source: DataRank Database

A semiempirical and machine learning approach for fragment-based structural analysis of non-hydroxamate HDAC3 inhibitors is a research paper published in Biophysical Chemistry (2025). On theSindex it has a DataRank of 0.165. It has been cited 2 times.

N/A

0.165DataRank · unranked

Scored on demand from live citation data

2 citations

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›Methodology & internals

datarank_citation_only_1hop_v6· scope data_onlyMethodology

Pipeline:MetadataData-paper checkEnrichmentCitation networkScoring

Enrichment:Funding (3 grants)Impact (FWCI 3.06)OA: closedTopics (37)IDs (PubMed, OpenAlex)

FAIR Checklist

Context only (not used in score)

Findable (1/2)

Has DOI

Accessible (0/2)

Interoperable (0/2)

Reusable (0/3)

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DataRank Breakdown

Base Score 100%Citation Network 0%

Base Score Contribution

0.165

From this paper's citation signal

Citation Network Contribution

Citation network not refreshed for this result

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Authors (5)

Lucia Sessa ORCID,Rajdip Tarafdar,Shovanlal Gayen ORCID,Stefano Piotto ORCID,Sk. Abdul Amin ORCID

Live enrichment

PubMed:39978120 OpenAlex:https://openalex.org/W4407596899

European Cooperation in Science and Technology

Grant: CA21113

Science and Engineering Research Board

Grant: MTR/2022/000286

European Cooperation in Science and Technology

FWCI

3.06

Citation Percentile

0.9%

Citation Trend

2025

closedLicense: https://doi.org/10.15223/policy-004

publisherhttps://api.elsevier.com/content/article/PII:S0301462225000213?httpAccept=text/xml

publisherhttps://api.elsevier.com/content/article/PII:S0301462225000213?httpAccept=text/plain

journalhttps://doi.org/10.1016/j.bpc.2025.107409

repositoryhttps://pubmed.ncbi.nlm.nih.gov/39978120

Fields of Study

Computational Drug Discovery MethodsChemical Synthesis and AnalysisCholinesterase and Neurodegenerative DiseasesHistone Deacetylase InhibitorsHistone DeacetylasesMachine LearningMolecular Docking SimulationHumansMolecular Dynamics SimulationQuantum TheoryQuantitative Structure-Activity RelationshipMolecular StructureThermodynamicsHistone Deacetylase 3

MeSH Terms

Machine LearningHistone Deacetylase 3Histone DeacetylasesHumansHydroxamic AcidsQuantum TheoryThermodynamicsMolecular StructureQuantitative Structure-Activity RelationshipMolecular Dynamics SimulationHistone Deacetylase InhibitorsMolecular Docking Simulation

Keywords

ChemistryFragment (logic)Computational chemistryStereochemistryAlgorithmFingerprintMachine LearningHdac3Memory And LearningQuantum Chemical CalculationFree Energy Landscape