Search Results for author: Simon Blackburn

Found 2 papers, 2 papers with code

Learning to Navigate in Synthetically Accessible Chemical Space Using Reinforcement Learning

1 code implementation • ICML 2020 • Sai Krishna Gottipati, Boris Sattarov, Sufeng. Niu, Hao-Ran Wei, Yashaswi Pathak, Shengchao Liu, Simon Blackburn, Karam Thomas, Connor Coley, Jian Tang, Sarath Chandar, Yoshua Bengio

In this work, we propose a novel reinforcement learning (RL) setup for drug discovery that addresses this challenge by embedding the concept of synthetic accessibility directly into the de novo compound design system.

Drug Discovery Navigate +3

Paper
Code

Learning To Navigate The Synthetically Accessible Chemical Space Using Reinforcement Learning

1 code implementation • 26 Apr 2020 • Sai Krishna Gottipati, Boris Sattarov, Sufeng. Niu, Yashaswi Pathak, Hao-Ran Wei, Shengchao Liu, Karam M. J. Thomas, Simon Blackburn, Connor W. Coley, Jian Tang, Sarath Chandar, Yoshua Bengio

Over the last decade, there has been significant progress in the field of machine learning for de novo drug design, particularly in deep generative models.

Drug Discovery Navigate +2

Paper
Code

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