Abstract：
:Discovery of new antibacterial agents is a never-ending task of medicinal chemistry. Every new drug brings significant improvement to patients with bacterial infections, but prolonged usage of antibacterials leads to the emergence of resistant strains. Therefore, novel active structures with new modes of action are required. We describe a web application called AntiBac-Pred aimed to help users in the rational selection of the chemical compounds for experimental studies of antibacterial activity. This application is developed using antibacterial activity data available in ChEMBL and PASS software. It allows users to classify chemical structures of interest into growth inhibitors or noninhibitors of 353 different bacteria strains, including both resistant and nonresistant ones.
journal_name
J Chem Inf Modeljournal_title
Journal of chemical information and modelingauthors
Pogodin PV,Lagunin AA,Rudik AV,Druzhilovskiy DS,Filimonov DA,Poroikov VVdoi
10.1021/acs.jcim.9b00436subject
Has Abstractpub_date
2019-11-25 00:00:00pages
4513-4518issue
11eissn
1549-9596issn
1549-960Xjournal_volume
59pub_type
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