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ecfp4 fingerprint  (ChemAxon LLC)

 
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    ChemAxon LLC ecfp4 fingerprint
    Ecfp4 Fingerprint, supplied by ChemAxon LLC, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/ecfp4+fingerprint/pm37797617-358-16-11?v=ChemAxon+LLC
    Average 90 stars, based on 1 article reviews
    ecfp4 fingerprint - by Bioz Stars, 2026-08
    90/100 stars

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    Parameter sets for each optimal model. (A) Feature selection methods and data rebalancing approaches. (B) Number of ECFP4 features that generated the optimal model for each CYP3A4 inhibitor/substrate dataset. These parameter combinations were applied as a preprocessing step prior to modeling.

    Journal: Journal of chemical information and modeling

    Article Title: Predictive models for human cytochrome P450 3A7 selective inhibitors and substrates

    doi: 10.1021/acs.jcim.2c01516

    Figure Lengend Snippet: Parameter sets for each optimal model. (A) Feature selection methods and data rebalancing approaches. (B) Number of ECFP4 features that generated the optimal model for each CYP3A4 inhibitor/substrate dataset. These parameter combinations were applied as a preprocessing step prior to modeling.

    Article Snippet: The ECFP4 fingerprints (1024 bits) were generated using the Chemistry Development Kit (CDK) package within the Konstanz Information Miner open source software (KNIME, version 4.0.2, https://www.knime.org/ ) 20 .

    Techniques: Selection, Generated