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Introduction to the BioChemical Library (BCL): An Application-Based Open-Source Toolkit for Integrated Cheminformatics and Machine Learning in Computer-Aided Drug Discovery

Frontiers in Pharmacology(2022)10.3389/fphar.2022.833099Source: DataRank Database

Introduction to the BioChemical Library (BCL): An Application-Based Open-Source Toolkit for Integrated Cheminformatics and Machine Learning in Computer-Aided Drug Discovery is a research paper published in Frontiers in Pharmacology (2022). On theSindex it has a DataRank of 0. It has been cited 28 times.

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Scored on demand from live citation data

Open Access28 citations

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›Methodology & internals

datarank_citation_only_1hop_v6· scope data_onlyMethodology

Pipeline:MetadataData-paper checkEnrichmentCitation networkScoring

Enrichment:Funding (8 grants)Impact (FWCI 2.92)OA: goldTopics (30)IDs (PubMed, PMC, OpenAlex)Annotations (1)SDGs (1)

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 (10)

Oanh Vu ORCID,Alexander R. Geanes,Sandeepkumar Kothiwale,Mariusz Butkiewicz ORCID,Edward W. Lowe

Live enrichment

PubMed:35264967 PMC:PMC8899505 OpenAlex:https://openalex.org/W4212830706

NIH HHS

Grant: S10 OD023680

NIDA NIH HHS

Grant: R01 DA046138

NIAID NIH HHS

Grant: R56 AI110750

NIGMS NIH HHS

Grant: T32 GM007347

NIGMS NIH HHS

Grant: T32 GM152284

National Institutes of Health

Grant: 5R01DA046138-04

Structural Determinants of Allosteric Modulation of Brain GPCRs

National Institutes of Health

Grant: 1F30DK118774-01

Targeting receptor tyrosine kinases with novel methods in computer-aided drug discovery for the treatment of fibrotic renal disease

National Institutes of Health

Grant: 1R01GM099842-01A1

Computational Design of Protein-Ligand Interfaces - a Therapeutic Strategy

FWCI

2.92

Citation Percentile

0.9%

Citation Trend

2022

2023

2024

2025

2026

goldLicense: cc-by

journalhttps://doi.org/10.3389/fphar.2022.833099

publisherhttps://doi.org/10.3389/fphar.2022.833099

publisherhttps://www.frontiersin.org/articles/10.3389/fphar.2022.833099/full

repositoryhttps://pubmed.ncbi.nlm.nih.gov/35264967

repositoryhttps://doaj.org/article/7998ee0a770449a7aa474d4430cc5bf3

Fields of Study

Computational Drug Discovery MethodsBioinformatics and Genomic NetworksMachine Learning in Materials Science0301 basic medicine0303 health sciences03 medical and health sciences

Keywords

CheminformaticsComputer scienceDrug discoveryQuantitative structure–activity relationshipModular designMachine learningOpen sourceSoftwareArtificial intelligenceBioinformaticsProgramming languageBiologyDrug designQSAROpen-sourceBclDeep Neural NetworkBiochemical LibraryPharmacologyddc:610drug discovery, drug design, cheminformatics, open-source, deep neural network, QSAR, biochemical library, BCLRM1-950Therapeutics. Pharmacologyinfo:eu-repo/classification/ddc/610

Sustainable Development Goals

SDG 3: 3. Good health

Introduction to the BioChemical Library (BCL): An Application-Based Open-Source Toolkit for Integrated Cheminformatics and Machine Learning in Computer-Aided Drug Discovery

FAIR Checklist

Authors (10)

Funding (8 grants)

Impact

Open Access

Topics

Annotations (Europe PMC)