Artificial Intelligence for drug discovery GTC Europe 2017 10 - - PowerPoint PPT Presentation
Artificial Intelligence for drug discovery GTC Europe 2017 10 October 2017 Dean Plumbley Senior Machine Learning Scientist Table of contents 1. About us 2. Hypothosis Generation 3. Current Success! 4. Drug Design using AI 5. AutoChem
GTC Europe 2017 10 October 2017 Dean Plumbley Senior Machine Learning Scientist
Prediction
Since our foundation in 2013, our mission has been to bring together the best of technology and scientific research to enable us to create better medicines. BenevolentAI harnesses artificial intelligence to enhance and accelerate scientific discovery by making sense of highly fragmented information to create new insights and usable knowledge that benefit society.
Founded in 2013 $BN company 80+ team of world class scientists and technologists (50+ doctorates/advanced degrees) Technology enabling previously impossible tasks in bioscience Rich patent portfolio of over 400 patents
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MoleculeNet: A Benchmark for Molecular Machine Learning Wu et al, arXiv 2017, https://arxiv.org/abs/1703.00564
Property Prediction Molecule Generation
Drug property prediction
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Drug structures as SMILES Representation as fingerprints / physchem descriptors
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Low Data Drug Discovery with One-shot Learning Altae-Tran et al, 2016, https://arxiv.org/abs/1611.03199
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Generative Chemistry
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Diversity-Oriented Synthesis: Developing New Chemical Tools to Probe and Modulate Biological Systems Galloway et al, 2014, http://www- spring.ch.cam.ac.uk/publications/pdf/2014_DOS_379.pdf
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Automatic chemical design using a data-driven continuous representation
https://arxiv.org/abs/1610.02415
Thanks for listening! Any Questions? We’re hiring! Get in touch Dean.Plumbley@benevolent.ai