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

• Main Authors: Benjamin P. Brown (Author), Oanh Vu (Author), Alexander R. Geanes (Author), Sandeepkumar Kothiwale (Author), Mariusz Butkiewicz (Author), Edward W. Lowe (Author), Ralf Mueller (Author), Richard Pape (Author), Jeffrey Mendenhall (Author), Jens Meiler (Author)
• Format: Book
• Published: Frontiers Media S.A., 2022-02-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

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...