From Tokenization to Self-Supervision: Building a High-Performance Information Extraction System for Chemical Reactions in Patents

Chemical reactions and experimental conditions are fundamental information for chemical research and pharmaceutical applications. However, the latest information of chemical reactions is usually embedded in the free text of patents. The rapidly accumulating chemical patents urge automatic tools based on natural language processing (NLP) techniques for efficient and accurate information extraction. This work describes the participation of the Melax Tech team in the CLEF 2020—ChEMU Task of Chemical Reaction Extraction from Patent. The task consisted of two subtasks: (1) named entity recognition to identify compounds and different semantic roles in the chemical reaction and (2) event extraction to identify event triggers of chemical reaction and their relations with the semantic roles recognized in subtask 1. To build an end-to-end system with high performance, multiple strategies tailored to chemical patents were applied and evaluated, ranging from optimizing the tokenization, pre-training patent language models based on self-supervision, to domain knowledge-based rules. Our hybrid approaches combining different strategies achieved state-of-the-art results in both subtasks, with the top-ranked F1 of 0.957 for entity recognition and the top-ranked F1 of 0.9536 for event extraction, indicating that the proposed approaches are promising.