Relating Molecular Descriptors to Frontier Orbital Energy Levels, Singlet and Triplet Excited States of Fused Tricyclics using Machine Learning

Publication date: Available online 13 March 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Kai Lin Woon, Zhao Xian Chong, Azhar Ariffin, Chee Seng Chan
Source: Journal of Molecular Graphics and Modelling - Category: Molecular Biology Source Type: research