Environmentally friendly PAEs alternatives with desired synthesizability by in silico methods
Hao Yang, Qing Li, Wu Yang, Yuanyuan Zhao, Ning Hao, Wei He, Yu Li
Topics & Concepts
Environmentally friendlyPhthalateBiochemical engineeringIn silicoComputer scienceQuantitative structure–activity relationshipChemistryEngineeringMachine learningOrganic chemistryEcologyBiologyGeneBiochemistryMachine Learning in Materials ScienceChemistry and Chemical EngineeringComputational Drug Discovery Methods