Exploring QSPR models for predicting PUF-air partition coefficients of organic compounds with linear and nonlinear approaches
Tengyi Zhu, Liming Gu, Ming Chen, Feng Sun
Topics & Concepts
Quantitative structure–activity relationshipMolecular descriptorSupport vector machineLinear regressionArtificial neural networkBiological systemPartition coefficientRobustness (evolution)Applicability domainNonlinear systemChemistryMachine learningArtificial intelligenceComputer scienceOrganic chemistryGeneQuantum mechanicsBiologyPhysicsBiochemistryAdvanced Chemical Sensor TechnologiesWater Quality Monitoring and AnalysisAnalytical Chemistry and Chromatography