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Pharma
Drug Interaction Discovery
Identifying novel molecular interactions
Overview
Application of machine learning models to identify novel drug-target interactions, discovering 3 previously unknown interaction mechanisms.
Key Results
- •Identified 3 novel drug-target interactions
- •Predicted binding affinities within 0.5 kcal/mol of experimental values
- •Reduced screening time from months to weeks
References
Rifaioglu, A. S., et al. (2019). Recent applications of deep learning and machine learning on drug discovery. Drug Discovery Today, 24(3), 814-820.