Introduction to the BioChemical Library (BCL): An Application-Based Open-Source Toolkit for Integrated Cheminformatics and Machine Learning in Computer-Aided Drug Discovery

The BioChemical Library (BCL) cheminformatics toolkit is an application-based academic open-source software package designed to integrate traditional small molecule cheminformatics tools with machine learning-based quantitative structure-activity/property relationship (QSAR/QSPR) modeling. In this p...

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Detalles Bibliográficos
Autores principales: Brown, Benjamin P., Vu, Oanh, Geanes, Alexander R., Kothiwale, Sandeepkumar, Butkiewicz, Mariusz, Lowe, Edward W., Mueller, Ralf, Pape, Richard, Mendenhall, Jeffrey, Meiler, Jens
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2022
Materias:
Pharmacology
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8899505/
https://www.ncbi.nlm.nih.gov/pubmed/35264967
http://dx.doi.org/10.3389/fphar.2022.833099

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