Design of fragrance molecules using computer-aided molecular design with machine learning
Yee Jia Ooi, Krisya Nicole G. Aung, Jia Wen Chong, Raymond R. Tan, Kathleen B. Aviso, Nishanth G. Chemmangattuvalappil
Topics & Concepts
Identification (biology)Computer-aidedComputer scienceMolecular descriptorArtificial intelligenceProduct (mathematics)Machine learningProduct designBiochemical engineeringQuantitative structure–activity relationshipEngineeringMathematicsProgramming languageBiologyBotanyGeometryAdvanced Chemical Sensor TechnologiesComputational Drug Discovery MethodsOlfactory and Sensory Function Studies