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extended connectivity fingerprint ecfp  (ChemAxon LLC)

 
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    ChemAxon LLC extended connectivity fingerprint ecfp
    Extended Connectivity Fingerprint Ecfp, 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/extended+connectivity+fingerprints+(ecfp)/extended+connectivity+fingerprint/pm35121854-452-1-6
    Average 90 stars, based on 1 article reviews
    extended connectivity fingerprint ecfp - by Bioz Stars, 2026-09
    90/100 stars

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    Related Articles

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    Article Title: Artificial intelligence-enabled virtual screening of ultra-large chemical libraries with deep docking.
    Article Snippet: Extended Connectivity Fingerprint ECFP https://docs.chemaxon.com/display/docs/extended-connectivity- fingerprint-ecfp.md (ChemAxon, 2021).

    Article Title: MetaTREE, a Novel Database Focused on Metabolic Trees, Predicts an Important Detoxification Mechanism: The Glutathione Conjugation
    Article Snippet: Furthermore, Extended-Connectivity Fingerprints [ ] (ECFP) were generated by the software GenerateMD version 15.3.2.0 (and the application for molecular descriptors were supplied by ChemAxon ( http://www.chemaxon.com , Budapest, Hungary).

    Article Title: Cosolvent-Based Protein Pharmacophore for Ligand Enrichment in Virtual Screening.
    Article Snippet: The computation of similarity was done directly on the PDB server, using the Extended Connectivity Fingerprint (ECFP) method from ChemAxon JChem.

    Article Title: Recovering Actives in Multi-Antitarget and Target Design of Analogs of the Myosin II Inhibitor Blebbistatin
    Article Snippet: Dissimilarity distance calculations between compounds were carried out using extended connectivity fingerprints (ECFP), as implemented in ChemAxon .

    Article Title: MetaTREE, a Novel Database Focused on Metabolic Trees, Predicts an Important Detoxification Mechanism: The Glutathione Conjugation
    Article Snippet: Furthermore, Extended-Connectivity Fingerprints [28] (ECFP) were generated by the software GenerateMD version 15.3.2.0 (and the application for molecular descriptors were supplied by ChemAxon (http://www.chemaxon.com, Budapest, Hungary).

    Software:

    Article Title: Artificial intelligence-enabled virtual screening of ultra-large chemical libraries with deep docking.
    Article Snippet: Extended Connectivity Fingerprint ECFP https://docs.chemaxon.com/display/docs/extended-connectivity- fingerprint-ecfp.md (ChemAxon, 2021).

    Article Title: MetaTREE, a Novel Database Focused on Metabolic Trees, Predicts an Important Detoxification Mechanism: The Glutathione Conjugation
    Article Snippet: Furthermore, Extended-Connectivity Fingerprints [ ] (ECFP) were generated by the software GenerateMD version 15.3.2.0 (and the application for molecular descriptors were supplied by ChemAxon ( http://www.chemaxon.com , Budapest, Hungary).

    Article Title: Cosolvent-Based Protein Pharmacophore for Ligand Enrichment in Virtual Screening.
    Article Snippet: The computation of similarity was done directly on the PDB server, using the Extended Connectivity Fingerprint (ECFP) method from ChemAxon JChem.

    Article Title: Recovering Actives in Multi-Antitarget and Target Design of Analogs of the Myosin II Inhibitor Blebbistatin
    Article Snippet: Dissimilarity distance calculations between compounds were carried out using extended connectivity fingerprints (ECFP), as implemented in ChemAxon .

    Article Title: MetaTREE, a Novel Database Focused on Metabolic Trees, Predicts an Important Detoxification Mechanism: The Glutathione Conjugation
    Article Snippet: Furthermore, Extended-Connectivity Fingerprints [28] (ECFP) were generated by the software GenerateMD version 15.3.2.0 (and the application for molecular descriptors were supplied by ChemAxon (http://www.chemaxon.com, Budapest, Hungary).



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    Performance of the Eight Models for the Training Set and Test Set Using Different Combinations of Molecular Descriptors

    Journal: Journal of Chemical Information and Modeling

    Article Title: Exploration of SARS-CoV-2 3CL pro Inhibitors by Virtual Screening Methods, FRET Detection, and CPE Assay

    doi: 10.1021/acs.jcim.1c01089

    Figure Lengend Snippet: Performance of the Eight Models for the Training Set and Test Set Using Different Combinations of Molecular Descriptors

    Article Snippet: In the present study, the SciTegic extended connection fingerprint ECFP was used, and to ensure that the molecular fragment size described by the molecular fingerprint was kept in the appropriate range, we used the molecular fingerprint with a diameter of 4 or 6, that is, ECFP_4 and ECFP_6, which were calculated in DS 2018 software.

    Techniques:

    Performance of the Five Models for the External Test Set Using Different Combinations of Molecular Descriptors

    Journal: Journal of Chemical Information and Modeling

    Article Title: Exploration of SARS-CoV-2 3CL pro Inhibitors by Virtual Screening Methods, FRET Detection, and CPE Assay

    doi: 10.1021/acs.jcim.1c01089

    Figure Lengend Snippet: Performance of the Five Models for the External Test Set Using Different Combinations of Molecular Descriptors

    Article Snippet: In the present study, the SciTegic extended connection fingerprint ECFP was used, and to ensure that the molecular fragment size described by the molecular fingerprint was kept in the appropriate range, we used the molecular fingerprint with a diameter of 4 or 6, that is, ECFP_4 and ECFP_6, which were calculated in DS 2018 software.

    Techniques: