April 18, 2024 In Unkategorisiert
Gotta be SAFE: a brand new framework for molecular design
Digital Discovery, 2024, 3,796-804
DOI: 10.1039/D4DD00019F, Paper
DOI: 10.1039/D4DD00019F, Paper
Open Access
  This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Emmanuel Noutahi, Cristian Gabellini, Michael Craig, Jonathan S. C. Lim, Prudencio Tossou
SAFE is a novel SMILES-compatible, fragment-based molecular line notation that streamlines molecule generation tasks. Unlike existing line notations, it enforces a sequential depiction of molecular substructures, thus simplifying molecule design.
The content of this RSS Feed (c) The Royal Society of Chemistry
SAFE is a novel SMILES-compatible, fragment-based molecular line notation that streamlines molecule generation tasks. Unlike existing line notations, it enforces a sequential depiction of molecular substructures, thus simplifying molecule design.
The content of this RSS Feed (c) The Royal Society of Chemistry
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