Design of (quinolin-4-ylthio)carboxylic acids as new Escherichia coli DNA gyrase B inhibitors: machine learning studies, molecular docking, synthesis and biological testing. - Larysa Metelytsia; Diana M. Hodyna; Inga Dobrodub; Ivan Semenyuta; Mikhail Zavhorodnii; Volodymyr Blagodatnyi; Vasyl V. Kovalishyn; Oleksandr Brazhko (Comput. Biol. Chem., 2020)