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Using alternative SMILES representations to identify novel functional analogues in chemical similarity vector searches

Patterns(2023)10.1016/j.patter.2023.100865Source: DataRank Database

Using alternative SMILES representations to identify novel functional analogues in chemical similarity vector searches is a research paper published in Patterns (2023). On theSindex it has a DataRank of 0. It has been cited 11 times.

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Open Access11 citations

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datarank_citation_only_1hop_v6· scope data_onlyMethodology

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Enrichment:Funding (5 grants)OA: goldTopics (12)Linked Datasets (2)DataCite Reuse (2)IDs (PubMed, PMC)Annotations (1)

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Authors (4)

Aaron L. Feller ORCID,Claus O. Wilke ORCID,Andrew D. Ellington ORCID,Clayton W. Kosonocky ORCID

Live enrichment

PubMed:38106612 PMC:PMC10724362

Welch Foundation

Grant: F-1654

National Institutes of Health

Grant: R01GM146093

National Institutes of Health

Grant: 5R01GM146093-02

Directed evolution of broadly fungible biosensors

University of Texas at Austin

Advanced Micro Devices Inc

goldLicense: cc-by

publisherhttps://doi.org/10.1016/j.patter.2023.100865

publisherhttps://api.elsevier.com/content/article/PII:S2666389923002490?httpAccept=text/xml

publisherhttps://api.elsevier.com/content/article/PII:S2666389923002490?httpAccept=text/plain

repositoryhttps://pmc.ncbi.nlm.nih.gov/articles/PMC10724362/pdf/main.pdf

Europe_PMChttps://europepmc.org/articles/PMC10724362

Fields of Study

01 natural sciences0104 chemical sciences

Keywords

drug discoveryMachine LearningSmilesTransformerChemical Similarity SearchBertVector SearchCanonicalizationPrompt EngineeringArticle

Using alternative SMILES representations to identify novel functional analogues in chemical similarity vector searches

10.5281/zenodo.8208878Zenodo

Prompt Engineering for Transformer-based Chemical Similarity Search Identifies Structurally Distinct Functional Analogues

10.48550/arxiv.2305.16330arXiv

Using alternative SMILES representations to identify novel functional analogues in chemical similarity vector searches

FAIR Checklist

Authors (4)

Funding (5 grants)

Open Access

Topics

Linked Datasets (2)

Annotations (Europe PMC)