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Biomolecules 2019, 9(1), 31; https://doi.org/10.3390/biom9010031

BIOFACQUIM: A Mexican Compound Database of Natural Products

Department of Pharmacy, National Autonomous University of Mexico, Mexico City 04510, Mexico
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Received: 29 November 2018 / Revised: 28 December 2018 / Accepted: 15 January 2019 / Published: 17 January 2019
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Abstract

Compound databases of natural products have a major impact on drug discovery projects and other areas of research. The number of databases in the public domain with compounds with natural origins is increasing. Several countries, Brazil, France, Panama and, recently, Vietnam, have initiatives in place to construct and maintain compound databases that are representative of their diversity. In this proof-of-concept study, we discuss the first version of BIOFACQUIM, a novel compound database with natural products isolated and characterized in Mexico. We discuss its construction, curation, and a complete chemoinformatic characterization of the content and coverage in chemical space. The profile of physicochemical properties, scaffold content, and diversity, as well as structural diversity based on molecular fingerprints is reported. BIOFACQUIM is available for free. View Full-Text
Keywords: chemical space; chemical data set; chemoinformatics; consensus diversity plot; drug discovery; molecular diversity; visualization chemical space; chemical data set; chemoinformatics; consensus diversity plot; drug discovery; molecular diversity; visualization
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).

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Pilón-Jiménez, B.A.; Saldívar-González, F.I.; Díaz-Eufracio, B.I.; Medina-Franco, J.L. BIOFACQUIM: A Mexican Compound Database of Natural Products. Biomolecules 2019, 9, 31.

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