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ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein-Specific Molecular Generation

Journal of Chemical Information and Modeling(2024)10.1021/acs.jcim.3c01456Source: DataRank Database

ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein-Specific Molecular Generation is a research paper published in Journal of Chemical Information and Modeling (2024). On theSindex it has a DataRank of 0. It has been cited 15 times.

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Open Access15 citations

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ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein-Specific Molecular Generation · arXiv

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datarank_citation_only_1hop_v6· scope data_onlyMethodology

Pipeline:MetadataData-paper checkEnrichmentCitation networkScoring

Enrichment:Funding (2 grants)Impact (FWCI 3.75)OA: greenTopics (24)Linked Datasets (1)DataCite Reuse (1)IDs (PubMed, OpenAlex)SDGs (1)

FAIR Checklist

Context only (not used in score)

Findable (2/2)

Has DOI
Indexed in repositories

Accessible (1/2)

Open Access

Interoperable (2/2)

DataCite relations
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Reusable (0/3)

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Authors (4)

Anton Morgunov ORCID,Rafael I. Brent ORCID,Víctor S. Batista ORCID,Gregory W. Kyro ORCID

Live enrichment

PubMed:38287889 OpenAlex:https://openalex.org/W4387003134

Division of Graduate Education

Grant: DGE-2139841

National Institute of General Medical Sciences

Grant: R01GM136815

FWCI

3.75

Citation Percentile

0.9%

Citation Trend

2024

2025

2026

greenLicense: cc-by

repositoryhttps://pmc.ncbi.nlm.nih.gov/articles/PMC10516108/pdf/nihpp-2309.05853v2.pdf

publisherhttps://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c01456

repositoryhttps://www.ncbi.nlm.nih.gov/pmc/articles/10516108

journalhttps://doi.org/10.1021/acs.jcim.3c01456

Fields of Study

Computational Drug Discovery MethodsInnovative Microfluidic and Catalytic Techniques InnovationMachine Learning in Materials Science

MeSH Terms

Reproducibility of ResultsProblem-Based LearningArtificial IntelligenceSoftwareDrug Discovery

Keywords

Chemical spaceComputer sciencePython (programming language)Small moleculeDrug discoveryComputational biologyDomain (mathematical analysis)Generative grammarArtificial intelligenceMachine learningChemistryBioinformaticsBiologyProgramming languageBiochemistryMathematics

Sustainable Development Goals

SDG 0: Partnerships for the goals

ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein-Specific Molecular Generation

10.48550/arxiv.2309.05853arXiv