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Chemoinformatics-based enumeration of chemical libraries: a tutorial

Fernanda I Saldívar-González1, C Sebastian Huerta-García2, José L Medina-Franco3

  • 1DIFACQUIM Research Group, School of Chemistry, Department of Pharmacy, Universidad Nacional Autónoma de México, Avenida Universidad 3000, 04510, Mexico, Mexico. fer.saldivarg@gmail.com.

Journal of Cheminformatics
|December 29, 2020
PubMed

Keywords:
Chemical enumerationChemoinformaticsCombinatorial librariesDOS synthesisDrug designEducationKNIMEPython

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