Article

Bridging 3D Molecular Structures and Artificial Intelligence by a Conformation Description Language

2025-05-12

Abstract excerpt

Artificial intelligence, particularly language models (LMs), is reshaping research paradigms across scientific domains. In the fields of chemistry and pharmacy, chemical language models (CLMs) have achieved remarkable success in two-dimensional (2D) molecular modeling tasks by leveraging one-dimensional (1D) representations of molecules, such as SMILES and SELFIES. However, extending these successes to three-dimen...

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Literature Corpus work: d8bc5977-9edf-5487-b283-dd875bfc6fdf
DOI: 10.1101/2025.05.07.652440

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