NIPS 2018 Expo Demo

Nov. 28, 2022

Expo 2018 Schedule »

End-to-end machine learning engine for drug discovery

Sponsor: Insilico Medicine, Inc.


Machine learning techniques have been widely adopted in multiple research fields over the recent years including bioinformatics, chemistry, and drug discovery. Novel computational methods and generative models can discover promising targets and drug compounds within hours, while conventional drug design pipelines require months of work. Insilico Medicine focuses on applications of machine learning to biomarker development and early-stage drug discovery. This demonstration will present our end-to-end learning pipeline, which utilizes multiple data types to identify the most promising targets and generates novel molecular structures with the desired set of parameters. Our internal web-based solution provides a simple interface for de-novo drug generation pipeline.