Hiranmayi Ranganathan

Data-Driven Modeling Approaches in Computational Drug Discovery

This session will introduce ATOM ( Accelerated Therapeutics for Opportunities in Medicine) and the work going on in the consortium. We will then talk about the issues around building predictive models for small molecule drug discovery, focusing on both target specific drug discovery approaches and structure based multi-target modeling.

Some topics covered include: - Drug Discovery Cheminformatics Models - Introduction to Quantitative Structure Activity Relationships (QSAR) - ATOM Modeling Pipeline - Structural models

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