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Quantum-to-Classical Neural Network Transfer Learning Applied to Drug Toxicity Prediction

Journal of Chemical Theory and Computation(2024)10.1021/acs.jctc.4c00432Source: DataRank Database

Quantum-to-Classical Neural Network Transfer Learning Applied to Drug Toxicity Prediction is a research paper published in Journal of Chemical Theory and Computation (2024). On theSindex it has a DataRank of 0. It has been cited 15 times.

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15 citations

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datarank_citation_only_1hop_v6· scope data_onlyMethodology

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Enrichment:Funding (6 grants)Impact (FWCI 4.02)OA: closedTopics (33)IDs (PubMed, PMC, OpenAlex)SDGs (1)

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Context only (not used in score)

Findable (1/2)

Has DOI

Accessible (0/2)

Interoperable (0/2)

Reusable (0/3)

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Authors (2)

Víctor S. Batista ORCID,Anthony M. Smaldone ORCID

Live enrichment

PubMed:38795030 PMC:PMC12665360 OpenAlex:https://openalex.org/W4399011340

National Institutes of Health

Grant: 1T32GM149438-01

Predoctoral Program in Biophysics

National Science Foundation

Grant: 2124511

CCI Phase I: NSF Center for Quantum Dynamics on Modular Quantum Devices (CQD-MQD)

National Science Foundation

Grant: 2302908

NSF Engines Development Award: Advancing quantum technologies (CT)

NIGMS NIH HHS

Grant: T32 GM149438

Yale University

National Energy Research Scientific Computing Center

FWCI

4.02

Citation Percentile

0.9%

Citation Trend

2025

2026

closedLicense: STM Policy #29

publisherhttps://pubs.acs.org/doi/pdf/10.1021/acs.jctc.4c00432

journalhttps://doi.org/10.1021/acs.jctc.4c00432

repositoryhttps://pubmed.ncbi.nlm.nih.gov/38795030

https://dx.doi.org/10.48550/arxiv.2403.18997

https://pmc.ncbi.nlm.nih.gov/articles/PMC12665360/

Fields of Study

Computational Drug Discovery MethodsSpectroscopy Techniques in Biomedical and Chemical ResearchMachine Learning in Materials Science0202 electrical engineering, electronic engineering, information engineering02 engineering and technologyQuantum TheoryNeural Networks, ComputerDrug-Related Side Effects and Adverse ReactionsMachine LearningDeep Learning

MeSH Terms

Machine LearningDeep LearningQuantum TheoryNeural Networks, ComputerDrug-Related Side Effects and Adverse Reactions

Keywords

Artificial neural networkComputer scienceTransfer of learningQuantumArtificial intelligenceQuantum chemicalMachine learningChemistryPhysicsQuantum mechanicsQuantum PhysicsDeep LearningDrug-Related Side Effects and Adverse ReactionsQuantum TheoryFOS: Physical sciencesNeural Networks, ComputerQuantum Physics (quant-ph)Article

Sustainable Development Goals

SDG 3: 3. Good health

Quantum-to-Classical Neural Network Transfer Learning Applied to Drug Toxicity Prediction

FAIR Checklist

Authors (2)

Funding (6 grants)

Impact

Open Access

Topics