Knowledge Engineering in Chemistry: From Expert Systems to Agents of Creation

The team at CoMo have just published a new academic paper entitled “Knowledge Engineering in Chemistry: From Expert Systems to Agents of Creation”.

The paper highlights Knowledge Engineering (KE), a branch of Artificial Intelligence (AI) that emulates the decision making process of a human expert. They cover various applications of knowledge graph and agent technology used to solve problems in chemistry related to molecular engineering, chemical mechanisms, multiscale modeling, automation of calculations and experiments, and chemist–machine interactions. These developments are discussed in the context of a universal and dynamic knowledge ecosystem, referred to as The World Avatar (TWA).

Access the paper at the publisher: DOI 10.1021/acs.accounts.2c00617

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