The application of machine learning techniques to innovative antibacterial discovery and development

Publication: Expert Opin Drug Discov
Software: ADMET Predictor®

After the initial wave of antibiotic discovery, few novel classes of antibiotics have emerged, with the latest dating back to the 1980’s. Furthermore, the pace of antibiotic drug discovery is unable to keep up with the increasing prevalence of antibiotic drug resistance. However, the increasing amount of available data promotes the use of machine learning techniques (MLT) in drug discovery projects (e.g. construction of regression/classification models and ranking/virtual screening of compounds).

By Mateus Sá Magalhães Serafim,Thales Kronenberger,Patrícia Rufino Oliveira,Antti Poso,Káthia Maria Honório,Bruno Eduardo Fernandes Mota &Vinícius Gonçalves Maltarollo