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Thesis

Deep learning approaches for pre-clinical drug discovery

Abstract:

Deep learning methods have experienced a revolution, driven by their successful application in fields such as computer vision and natural language processing. In this thesis, we describe several novel methodologies leveraging deep learning for applications to pre-clinical drug discovery.

First, we propose a generative approach to the design of molecular linkers which incorporates basic 3D information. In large-scale tests, we find that our method substantially outperforms a databas...

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Institution:
University of Oxford
Division:
MPLS
Department:
Statistics
Research group:
Oxford Protein Informatics Group
Oxford college:
Keble College
Role:
Author
ORCID:
0000-0002-6241-0123

Contributors

Institution:
University of Cambridge
Role:
Supervisor
Institution:
Exscientia Ltd
Role:
Supervisor
Institution:
University of Oxford
Division:
MPLS
Department:
Statistics
Research group:
Oxford Protein Informatics Group
Role:
Supervisor
ORCID:
0000-0003-1388-2252
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Funding agency for:
Imrie, FM
More from this funder
Funding agency for:
Imrie, FM
Grant:
EP/N509711/1
Type of award:
DPhil
Level of award:
Doctoral
Awarding institution:
University of Oxford

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