Comparing the performances of glass transition temperatures prediction : SMILES vs. Molfile

Glass transition temperature (Tg) is the temperature at which a polymer changes from rigid to flexible. Tg is an important tool for modifying physical properties of polymers, with a wide variety of industrial applications. The field of machine learning (ML) has significantly grown over the recent...

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Bibliographic Details
Main Author: Goh, Kai Leong
Other Authors: Lu Yunpeng
Format: Final Year Project (FYP)
Language:English
Published: Nanyang Technological University 2022
Subjects:
Online Access:https://hdl.handle.net/10356/155296