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Utilizing Low-Dimensional Molecular Embeddings for Rapid Chemical Similarity Search

arXiv (Cornell University)(2024)10.48550/arxiv.2402.07970Source: DataRank Database

Utilizing Low-Dimensional Molecular Embeddings for Rapid Chemical Similarity Search is a research paper published in arXiv (Cornell University) (2024). On theSindex it has a DataRank of 0. It has been cited 1 time.

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datarank_citation_only_1hop_v6· scope data_onlyMethodology

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Enrichment:Funding (7 grants)OA: greenTopics (19)IDs (PubMed, OpenAlex)

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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:30945415 OpenAlex:https://openalex.org/W4391833093

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

greenLicense: cc-by

repositoryhttps://arxiv.org/pdf/2402.07970

repositoryhttp://arxiv.org/abs/2402.07970

repositoryhttps://doi.org/10.48550/arxiv.2402.07970

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

https://dx.doi.org/10.48550/arxiv.2402.07970

Fields of Study

Computational Drug Discovery MethodsVarious Chemistry Research TopicsAnalytical Chemistry and ChromatographyInformation Retrieval (cs.IR)Machine Learning (cs.LG)FOS: Computer and information sciences

Keywords

Similarity (geometry)Chemical similarityNearest neighbor searchComputer scienceStatistical physicsArtificial intelligenceStructural similarityPhysicsFOS: Computer and information sciencesComputer Science - Machine LearningInformation Retrieval (cs.IR)Computer Science - Information RetrievalMachine Learning (cs.LG)