ChatMol: interactive molecular discovery with natural language.

ABSTRACT:

Motivation

Natural language is poised to become a key medium for human-machine interactions in the era of large language models. In the field of biochemistry, tasks such as property prediction and molecule mining are critically important yet technically challenging. Bridging molecular expressions in natural language and chemical language can significantly enhance the interpretability and ease of these tasks. Moreover, it can integrate chemical knowledge from various sources, leading to a deeper understanding of molecules.

Results

Recognizing these advantages, we introduce the concept of conversational molecular design, a novel task that utilizes natural language to describe and edit target molecules. To better accomplish this task, we develop ChatMol, a knowledgeable and ver

SUBMITTER: Zeng Z 

PROVIDER: S-EPMC11520398 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature