The coefficient of conformism of a correlative prediction (CCCP): Building up reliable nano-QSPRs/QSARs for endpoints of nanoparticles in different experimental conditions encoded via quasi-SMILES
Alla P. Toropova, Andrey A. Toropov
Topics & Concepts
Partition coefficientMonte Carlo methodCorrelation coefficientLas vegasBiological systemOctanolQuantitative structure–activity relationshipNanomaterialsPrioritizationComputer scienceStatistical physicsChemistryMaterials scienceMathematicsStatisticsNanotechnologyPhysicsEngineeringMachine learningChromatographyBiologyMedicinePathologyManagement scienceMetropolitan areaComputational Drug Discovery MethodsMachine Learning in Materials Science