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Prioritizing Small Sets of Molecules for Synthesis through in‐silico Tools: A Comparison of Common Ranking Methods

ChemMedChem(2022)10.1002/cmdc.202200425Source: DataRank Database

Prioritizing Small Sets of Molecules for Synthesis through in‐silico Tools: A Comparison of Common Ranking Methods is a research paper published in ChemMedChem (2022). On theSindex it has a DataRank of 0. It has been cited 43 times.

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Open Access43 citations

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Enrichment:Funding (2 grants)Impact (FWCI 5.18)OA: hybridTopics (44)IDs (PubMed, PMC, OpenAlex)Annotations (1)SDGs (1)

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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 (9)

Ge Yunhui ORCID,Joseph P. Bluck ORCID,Hans Briem ORCID,David F. Hahn ORCID,Clara D. Christ ORCID

Live enrichment

PubMed:36240514 PMC:PMC9868080 OpenAlex:https://openalex.org/W4306249182

National Institutes of Health

Grant: R01GM108889

National Institutes of Health

Grant: 3R01GM108889-05S1

Alchemical free energy methods for efficient drug lead optimization

FWCI

5.18

Citation Percentile

1.0%

Citation Trend

2022

2023

2024

2025

2026

hybridLicense: cc-by-nc-nd

journalhttps://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/cmdc.202200425

publisherhttps://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/cmdc.202200425

publisherhttps://onlinelibrary.wiley.com/doi/pdf/10.1002/cmdc.202200425

publisherhttps://onlinelibrary.wiley.com/doi/full-xml/10.1002/cmdc.202200425

publisherhttps://chemistry-europe.onlinelibrary.wiley.com/doi/pdf/10.1002/cmdc.202200425

Fields of Study

Computational Drug Discovery MethodsChemical Synthesis and AnalysisChemistry and Chemical Engineering0301 basic medicine0303 health sciences03 medical and health sciences

MeSH Terms

AlgorithmsLigandsProtein BindingProteinsThermodynamicsMolecular Dynamics SimulationMolecular Docking Simulation

Keywords

In silicoRanking (information retrieval)Computational biologyComputer scienceCombinatorial chemistryBiochemical engineeringChemistryData miningInformation retrievalBiologyEngineeringBiochemistryDrug designMolecular modellingDockingFepMmgbsaMedicinal & Biomolecular ChemistryOrganic ChemistryProteinsPharmacology and Pharmaceutical SciencesMolecular Dynamics SimulationLigandsMolecular Docking SimulationMedicinal and Biomolecular ChemistryNetworking and Information Technology R&D (NITRD)Chemical SciencesThermodynamicsResearch ArticlesAlgorithmsProtein Binding

Sustainable Development Goals

SDG 0: Affordable and clean energy

Prioritizing Small Sets of Molecules for Synthesis through in‐silico Tools: A Comparison of Common Ranking Methods

FAIR Checklist

Authors (9)

Funding (2 grants)

Impact

Open Access

Topics

Annotations (Europe PMC)