Monte Carlo Optimization Method Based QSAR Modeling of Placental Barrier Permeability
Predrag Vukomanović, Milan Stefanović, Jelena Milošević, Aleksandra Petrić, Milan Trenkić, Lazar Andrejević, Milan Lazarević, Danka Sokolović, Aleksandar M. Veselinović
Topics & Concepts
Quantitative structure–activity relationshipCorrelation coefficientMean squared errorMolecular descriptorMonte Carlo methodRobustness (evolution)Computer scienceBiological systemMathematicsChemistryStatisticsMachine learningBiochemistryGeneBiologyComputational Drug Discovery MethodsDrug Transport and Resistance MechanismsMachine Learning in Bioinformatics