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...
| Main Author: | |
|---|---|
| Other Authors: | |
| Format: | Final Year Project (FYP) |
| Language: | English |
| Published: |
Nanyang Technological University
2020
|
| Subjects: | |
| Online Access: | https://hdl.handle.net/10356/139051 |