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Updated: Jan 11, 2026

Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids
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超越性能:设计选择如何塑造化学语言模型

Inken Fender1,2, Jannik Adrian Gut1,2, Thomas Lemmin3

  • 1Institute of Biochemistry and Molecular Medicine, University of Bern, Bühlstrasse 28, 3012, Bern, Switzerland.

Journal of cheminformatics
|November 19, 2025
PubMed
概括

化学语言模型 (CLMs) 在设计选择中显示了类似的性能,但内部表示显著不同. 原子智能代币化提高了可解释性,指导了化学接地CLM的发展.

关键词:
巴特·巴特 (BART BART) 是一个著名的艺术家.化学语言模型的化学语言模型可解释的人工智能 (XAI)可以解释性 解释性大型语言模型.机器学习用于化学.罗伯特 罗伯特是一个人.自拍照片 自拍照片斯米莱斯 (SMILES) 是一个有趣的小孩.

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