Topology based machine learning models for drug design

Binding affinity prediction from protein-ligand complex is a problem of interest as it is a key step in drug design. A good model for binding affinity prediction can help to lower time needed and cost of drug design. The binding affinity problem is unlike traditional machine learning tasks. Each pro...

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Bibliographic Details
Main Author: Kang, Hwee Young
Other Authors: Xia Kelin
Format: Final Year Project (FYP)
Language:English
Published: Nanyang Technological University 2020
Subjects:
Online Access:https://hdl.handle.net/10356/139100