143 citations · 343 across the 8 of their papers we have counts for
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cs.AI2021★ 143 cited
A Review of Biomedical Datasets Relating to Drug Discovery: A Knowledge Graph Perspective
Stephen Bonner, Ian P Barrett, Cheng Ye +5
Drug discovery and development is a complex and costly process. Machine learning approaches are being investigated to help improve the effectiveness and speed of multiple stages of…
cs.AI2017★ 7 cited
Molecular De Novo Design through Deep Reinforcement Learning
Marcus Olivecrona, Thomas Blaschke, Ola Engkvist +1
This work introduces a method to tune a sequence-based generative model for molecular de novo design that through augmented episodic likelihood can learn to generate structures wit…