SynAsk: unleashing the power of large language models in organic synthesis
Chonghuan Zhang, Qianghua Lin, Biwei Zhu, Haopeng Yang, Xiao Lian, Hao Deng, Jiajun Zheng, Kuangbiao Liao
Abstract
The field of natural language processing (NLP) has witnessed a transformative shift with the emergence of large language models (LLMs), revolutionizing various language tasks and applications, and the integration of LLMs into specialized domains enhances their capabilities for domain-specific applications. Notably, NLP has made significant strides in organic chemistry, particularly in predicting synthetic tasks, paving the way for the development of LLMs tailored to the organic chemistry field. In this work, we introduce SynAsk, a comprehensive organic chemistry domain-specific LLM platform developed by AIChemEco Inc. By fine-tuning an LLM with domain-specific data and integrating it with a chain of thought approach, SynAsk seamlessly accesses our knowledge base and advanced chemistry tools in a question-and-answer format. This includes functionalities such as a basic chemistry knowledge base, molecular information retrieval, reaction performance prediction, retrosynthesis prediction, chemical literature acquisition, and more. This novel methodology synergizes fine-tuning techniques with external resource integration, resulting in an organic chemistry-specific model poised to facilitate research and discovery in the field. Accessible at https://synask.aichemeco.com, SynAsk represents a significant advancement in leveraging NLP for synthetic applications.