Route Software Articles & Analysis

1 articles found

RetroGNN: Fast Estimation of Synthesizability for Virtual Screening and De Novo Design by Learning from Slow Retrosynthesis Software

Here, we propose a novel approach, RetroGNN, to estimate synthesizability. First, we search for routes using synthesis planning software for a large number of random molecules. ...

Apr. 22, 2022

ByMolecule One sp. z o.o.

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