Tree-Based QSAR Model for Drug Repurposing in the Discovery of New Antibacterial Compounds against <i>Escherichia coli</i>

• Main Authors: Beatriz Suay-Garcia (Author), Antonio Falcó (Author), J. Ignacio Bueso-Bordils (Author), Gerardo M. Anton-Fos (Author), M. Teresa Pérez-Gracia (Author), Pedro A. Alemán-López (Author)
• Format: Book
• Published: MDPI AG, 2020-11-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

Drug repurposing appears as an increasing popular tool in the search of new treatment options against bacteria. In this paper, a tree-based classification method using Linear Discriminant Analysis (LDA) and discrete indexes was used to create a QSAR (Quantitative Structure-Activity Relationship) mod...