Validation of the Commercial Potential of a Novel in silico Approach for Drug Discovery and Development
Lead Research Organisation:
Imperial College London
Department Name: Life Sciences - Molecular Biosciences
Abstract
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People |
ORCID iD |
| M Sternberg (Principal Investigator) |
Publications
Di Fruscia P
(2012)
The Discovery of Novel 10,11-Dihydro-5H-dibenz[b,f]azepine SIRT2 Inhibitors.
in MedChemComm
Reynolds C
(2012)
Assessment of a Rule-Based Virtual Screening Technology (INDDEx) on a Benchmark Data Set
in The Journal of Physical Chemistry B
Tsunoyama K
(2008)
Scaffold hopping in drug discovery using inductive logic programming.
in Journal of chemical information and modeling
| Description | We have developed a computational approach to identify new molecules, which could be drugs, that bind to biological molecules by learning from existing information. |
| Exploitation Route | Use software to discover novel molecules to regulate biological activity. Use the method as a fee for service for industry. |
| Sectors | Agriculture, Food and Drink,Chemicals,Pharmaceuticals and Medical Biotechnology |
| URL | http://www.equinoxpharma.com/ |
| Description | The funds further the development and benchmarking of a computational approach using machine learning to identify novel ligands that have a biological activity |
| First Year Of Impact | 2007 |
| Sector | Agriculture, Food and Drink,Chemicals,Pharmaceuticals and Medical Biotechnology |
| Impact Types | Economic |
| Description | EPSRC PhD Studentship |
| Amount | £65,000 (GBP) |
| Funding ID | EP/K502856/1 |
| Organisation | Engineering and Physical Sciences Research Council (EPSRC) |
| Sector | Public |
| Country | United Kingdom |
| Start | 10/2012 |
| End | 03/2016 |
| Description | Nanjing-Imperial Machine Learning Centre |
| Organisation | Nanjing University (NJU) |
| Country | China |
| Sector | Academic/University |
| PI Contribution | This is the outcome of two years collaboration with the University of Nanjing, and has involved multiple bilateral visits. Joint research on the development of techniques for integrating Statistical and Logical Machine Learning has led to an early report on a new technology called Logical Vision. Major conference and Journal submissions are in progress. Our contribution has been in providing expertise and research in Logic-Based Machine Learning. |
| Collaborator Contribution | Nanjing University is China's top centre for research in Statistical Machine Learning. They have developed the code base for the LogVis system which was recently released on GitHub under a BSD open source license. Nanjing University has just agreed to fund the new centre at a level of £60K per year. This will provide funding for travel and RA time to support the ongoing collaboration. |
| Impact | W-Z Dai, S.H. Muggleton, and Z-H Zhou. Logical Vision: Meta-interpretive learning for simple geometrical concepts. In Late Breaking Paper Proceedings of the 25th International Conference on Inductive Logic Programming, pages 1-16. CEUR, 2015. |
| Start Year | 2015 |
| Company Name | Equinox Pharma |
| Description | Equinox Pharma is a computationally-driven logic-based drug discovery company which, in partnership with pharma companies, agrochemical companies, biotechs and medicinal chemistry-based contract research organizations, uses its capability in proprietary logic-based machine learning and chemoinformatics (INDDEx™), based on the patented SV-ILP method (Patent number 8126823), to undertake drug discovery programmes for our clients. |
| Impact | Equinox has delivered service to multinational companies based in the UK. |
| Website | http://www.equinoxpharma.com/ |
| Description | Lecture - Art and Science |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | National |
| Primary Audience | Public/other audiences |
| Results and Impact | Talk highlighted link of structural biology and art. Follow up invitation to talk at a human/computer iteraction conference |
| Year(s) Of Engagement Activity | 2013 |
| Description | School lecture (London) |
| Form Of Engagement Activity | A talk or presentation |
| Part Of Official Scheme? | No |
| Geographic Reach | Local |
| Primary Audience | Schools |
| Results and Impact | Talk to school children to spark interest in science Requests for work experience |
| Year(s) Of Engagement Activity | 2012 |