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

• Main Author: Goh, Kai Leong
• Other Authors: Lu Yunpeng
• Format: Final Year Project
• Language: English
• Published: Nanyang Technological University 2022
• Subjects: Science::Chemistry
• Online Access: https://hdl.handle.net/10356/155296
• Institution: Nanyang Technological University

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...