A Transformer Model for Predicting Chemical Products from Generic SMARTS Templates with Data Augmentation

Derin Ozer, Sylvain Lamprier, Nicolas Gutowski, Benoit Da Mota, Thomas Cauchy. A Transformer Model for Predicting Chemical Products from Generic SMARTS Templates with Data Augmentation. In 37th IEEE International Conference on Tools with Artificial Intelligence, ICTAI 2025, Athens, Greece, November 3-5, 2025. pages 630-636, IEEE, 2025. [doi]

Abstract

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