Exploring machine learning methods on molecular data

• Main Author: Tan, Chen Hui
• Other Authors: Xia Kelin
• Format: Final Year Project
• Language: English
• Published: Nanyang Technological University 2021
• Subjects: Science::Mathematics::Applied mathematics
• Online Access: https://hdl.handle.net/10356/148528
• Institution: Nanyang Technological University

Understanding molecular data can be useful for various fields of science, including biology, chemistry, and material science to name a few. In this report, XRD (X-Ray Diffraction) data and protein ligand binding affinity data is looked at and machine learning techniques a...