STOUT V2.0: SMILES to IUPAC name conversion using transformer models

Abstract Naming chemical compounds systematically is a complex task governed by a set of rules established by the International Union of Pure and Applied Chemistry (IUPAC). These rules are universal and widely accepted by chemists worldwide, but their complexity makes it challenging for individuals...

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Bibliographic Details
Main Authors: Kohulan Rajan, Achim Zielesny, Christoph Steinbeck
Format: Article
Language:English
Published: BMC 2024-12-01
Series:Journal of Cheminformatics
Subjects:
Online Access:https://doi.org/10.1186/s13321-024-00941-x
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