Generalised topological features and machine learning in drug design

One of the key steps of drug design is the prediction of binding affinity between a protein and a ligand. This is a task achievable using methods in supervised learning, where a supervised learning algorithm can be trained on a dataset of protein-ligand pairs and their binding affinity. Previous wor...

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Bibliographic Details
Main Author: Ti, Tze Hong
Other Authors: Xia Kelin
Format: Final Year Project
Language:English
Published: Nanyang Technological University 2020
Subjects:
Online Access:https://hdl.handle.net/10356/139051
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Institution: Nanyang Technological University
Language: English