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Journal of Chemical Information and Modeling|January 29, 2025
EFGs: A Complete and Accurate Implementation of Ertl's Functional Group Detection Algorithm in RDKitGonzalo Colmenarejo
Journal of Chemical Information and Modeling|August 27, 2016
Compound Prioritization in Single-Concentration Screening Data Using Ligand Efficiency IndexesGonzalo Colmenarejo
Medicinal Research Reviews|March 21, 2003
In silico prediction of drug-binding strengths to human serum albuminGonzalo Colmenarejo
Journal of Agricultural and Food Chemistry|July 21, 2020
Analysis of Nuisance Substructures and Aggregators in a Comprehensive Database of Food Chemical CompoundsIrem Kaya, Gonzalo Colmenarejo
Journal of Chemical Information and Modeling|August 8, 2022
Systematic Analysis and Prediction of the Target Space of Bioactive Food Compounds: Filling the Chemobiological GapsAndrés Sánchez-Ruiz, Gonzalo Colmenarejo
Journal of Agricultural and Food Chemistry|December 8, 2021
Updated Prediction of Aggregators and Assay-Interfering Substructures in Food CompoundsAndrés Sánchez-Ruiz, Gonzalo Colmenarejo
Journal of Chemical Information and Modeling|August 21, 2024
Identifying and Filling the Chemobiological Gaps of Gut Microbial MetabolitesCristian Orgaz, Andrés Sánchez-Ruiz, Gonzalo Colmenarejo
Analytical Chemistry|May 18, 2010
Can luminescent Ru(II) polypyridyl dyes measure pH directly?Laura Tormo, Nelia Bustamante, Gonzalo Colmenarejo, et al.
Journal of Cheminformatics|October 14, 2023
Analysis of metabolites in human gut: illuminating the design of gut-targeted drugsAlberto Gil-Pichardo, Andrés Sánchez-Ruiz, Gonzalo Colmenarejo
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