Design of fragrant molecules through the incorporation of rough sets into computer-aided molecular design
Kirridharhapany T. Radhakrishnapany, Chee Yan Wong, Fang Khai Tan, Jia Wen Chong, Raymond R. Tan, Kathleen B. Aviso, Jose Isagani B. Janairo, Nishanth G. Chemmangattuvalappil
Abstract
The design of fragrant molecules by combining rough set theory with property prediction models on a molecular signature platform.
Topics & Concepts
MoleculeComputer-aidedComputer scienceMaterials scienceChemistryOrganic chemistryProgramming languageRough Sets and Fuzzy LogicComputational Drug Discovery MethodsStatistical and Computational Modeling