Practical Machine Learning for Organic Small Molecule Modelling
- Date: Wednesday 6 December 2023, 15:00 – 16:00
- Location: Chemistry LT B (2.17)
- Type: Organic, Seminars, Chemistry
- Cost: Free
Dr Emma King-Smith, University of Cambridge
It is our pleasure to invite you all to our School Seminar that will be delivered by Dr Emma King-Smith, University of Cambridge, on Wednesday date at 15.00-16.00 (London time) in Chemistry LT B.
Emma King-Smith is a Junior Research Fellow at University of Cambridge. She began her career as an experimental chemist, performing undergraduate research with Professor Dean Toste at the University of California, Berkeley in organometallics methods development. Upon graduation, she joined the process chemistry team at Genentech (South San Francisco) for a year and gained a deep appreciation for total synthesis, prompting her return to academia for a PhD. Emma's graduate studies were completed under the tutelage of Professor Hans Renata at The Scripps Research Institute in Jupiter, Florida. During her time there, she gained expertise in enzyme-mediated total synthesis, developing novel routes to a wide range of molecules. Currently, Emma is continuing her journey as a synthetic chemist, with an emphasis in machine learning and is exploring the computational side of chemistry. Her research is centred around the investigation of how machine learning can be a tool for practical synthetic chemistry.
Talk title: Practical Machine Learning for Organic Small Molecule Modelling
Abstract: Organic small molecules are essential components of life. Despite this, understanding how they interact within their living systems or other molecules in a flask is still largely empirical. We investigate how machine learning can be used as a tool for practical application to chemical modelling, even in low-data environments. These include deep learning models towards regioselectivity and yield prediction and lightweight, run-on-your-laptop, models that divine hidden chemical insights in noisy data environments.
Please join us for this seminar and enjoy the excellent science from Dr Emma King-Smith.
**Note to all PhD students: Attendance of school seminars is expected from all PhD students and is part of your assessment in your transfer viva and annual review.
Best regards from the school seminar team,