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Utilizing Low-Dimensional Molecular Embeddings for Rapid Chemical Similarity Search

Lecture notes in computer science(2024)10.1007/978-3-031-56060-6_3Source: DataRank Database

Utilizing Low-Dimensional Molecular Embeddings for Rapid Chemical Similarity Search is a research paper published in Lecture notes in computer science (2024). On theSindex it has a DataRank of 0. It has been cited 5 times.

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Open Access5 citations

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›Methodology & internals

datarank_citation_only_1hop_v6· scope data_onlyMethodology

Pipeline:MetadataData-paper checkEnrichmentCitation networkScoring

Enrichment:Funding (14 grants)Impact (FWCI 3.37)OA: greenTopics (30)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 (7)

James Wellnitz ORCID,Joshua E. Hochuli ORCID,Travis Maxfield ORCID,Konstantin I. Popov ORCID,Shawn M. Gomez ORCID

Live enrichment

PubMed:38585224 PMC:PMC10998712 OpenAlex:https://openalex.org/W4392869872

NCI NIH HHS

Grant: R01 CA233811

NIDDK NIH HHS

Grant: U24 DK116204

NIGMS NIH HHS

Grant: T32 GM135122

NCI NIH HHS

Grant: U01 CA238475

NCI NIH HHS

Grant: U01 CA274298

NIGMS NIH HHS

Grant: R01 GM140154

NIGMS NIH HHS

Grant: T32 GM086330

National Institutes of Health

Grant: 5T32GM135122-05

UNC Chemical Biology Interface Training Program

National Institutes of Health

Grant: 5T32GM086330-08

UNC-Duke Collaborative Clinical Pharmacology Postdoctoral Training Program

National Institutes of Health

Grant: 3U01CA274298-01S1

Effect of JAK and RIPK2 inhibition on CAF and cancer cell crosstalk

National Institutes of Health

Grant: 5R01GM140154-04

Enabling the Accelerated Discovery of Novel Chemical Probes by Integration of Crystallographic, Computational, and Synthetic Chemistry Approaches

National Institutes of Health

Grant: 1U01CA238475-01

Predictive Modeling of the EGFR-MAPK pathway for Triple Negative Breast Cancer Patients

National Institutes of Health

Grant: 5U24DK116204-04

Illuminating Function of the Understudied Druggable Kinome

National Institutes of Health

Grant: 7R01CA233811-02

MICROFABRICATED INSTRUMENTATION TO MEASURE SPHINGOLIPID SIGNALING IN HUMAN ACUTE MYELOID LEUKEMIA

FWCI

3.37

Citation Percentile

0.9%

Citation Trend

2024

2025

greenLicense: Springer Nature TDM

repositoryhttps://pmc.ncbi.nlm.nih.gov/articles/PMC10998712/pdf/nihms-1979774.pdf

publisherhttps://link.springer.com/content/pdf/10.1007/978-3-031-56060-6_3

repositoryhttps://www.ncbi.nlm.nih.gov/pmc/articles/10998712

book serieshttps://doi.org/10.1007/978-3-031-56060-6_3

Fields of Study

Computational Drug Discovery MethodsMetabolomics and Mass Spectrometry StudiesAnalytical Chemistry and Chromatography

Keywords

Computer scienceNearest neighbor searchLeverage (statistics)Chemical spaceSimilarity (geometry)Curse of dimensionalityEmbeddingChemical similarityk-nearest neighbors algorithmTask (project management)Data miningBrute forceGeneralizability theoryTheoretical computer scienceMachine learningArtificial intelligenceDrug discoveryCluster analysisBioinformaticsMathematicsVirtual ScreeningCheminformaticsFOS: Computer and information sciencesComputer Science - Machine LearningInformation Retrieval (cs.IR)Computer Science - Information RetrievalMachine Learning (cs.LG)