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

• المؤلف الرئيسي: Goh, Kai Leong
• مؤلفون آخرون: Lu Yunpeng
• التنسيق: Final Year Project
• اللغة: English
• منشور في: Nanyang Technological University 2022
• الموضوعات: Science::Chemistry
• الوصول للمادة أونلاين: https://hdl.handle.net/10356/155296
• المؤسسة: 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...