Імя: Oleksandr Gurbych
Компанія: SoftServe, Research Engineer
Більше про доповідача: Oleksandr Gurbych is a Research Scientist at SoftServe. Oleksandr holds a PhD in Theoretical Chemistry and has over eight years of academic and industry research experience in applied data science and machine learning in chemistry, biotechnology, and physics.
Тема доповіді: AI for Drug Design
Більше про доповідь: Deep Learning enables Pharmaceutical R&D teams to generate novel drugs narrowing the set of candidates. This presentation focuses on leveraging Machine Learning to create and validate small and large molecular structures with desired properties. It addresses the following points: - Continuous molecular space - pros and cons - How to best control molecular descriptors - Spell-checking for molecules - How best to leverage Synthetic Accessibility - Machine learning assisted docking techniques - Reinforcement Learning in drug candidates generation - How to best assess AI-generated drugs