A novel unambiguous strategy of molecular feature extraction in machine learning assisted predictive models for environmental properties
Zihao Wang, Yang Su, Saimeng Jin, Weifeng Shen, Jingzheng Ren, Xiangping Zhang, James H. Clark
Abstract
A novel strategy of molecular feature extraction coupling with the machine learning algorithm for developing predictive models of environmental properties.
Topics & Concepts
Computer scienceFeature (linguistics)Artificial intelligenceExtraction (chemistry)Coupling (piping)Feature extractionMachine learningChemistryEngineeringChromatographyPhilosophyLinguisticsMechanical engineeringChemistry and Chemical EngineeringComputational Drug Discovery MethodsProcess Optimization and Integration