Standardizing chemical compounds with language models

With the growing amount of chemical data stored digitally, it has become crucial to represent chemical compounds accurately and consistently. Harmonized representations facilitate the extraction of insightful information from datasets, and are advantageous for machine learning applications. To achie...

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Bibliographic Details
Main Authors: Miruna T Cretu, Alessandra Toniato, Amol Thakkar, Amin A Debabeche, Teodoro Laino, Alain C Vaucher
Format: Article
Language:English
Published: IOP Publishing 2023-01-01
Series:Machine Learning: Science and Technology
Subjects:
Online Access:https://doi.org/10.1088/2632-2153/ace878