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Vol. 77 No. 1/2 (2023): Artificial Intelligence in Chemical Research
CHIMIA Vol. 77 No. 1/2 (2023): Artificial Intelligence in Chemical Research

Artificial Intelligence (AI) is the ability of machines to respond in seemingly intelligent ways, producing outputs in response to new inputs without being expressly programmed to do so. Unlike traditional computer programs, which generate outputs based on explicit sets of instructions, AI systems are designed to make predictions based on data-driven models. As a result, the use of models and data constitutes essential components of this strategy. For this issue of CHIMIA, the guest editors have selected a collection of Swiss research chemists’ contributions and perspectives on AI method development and implementation, ranging from the use of AI/ML for: chemical reaction optimization using a wide range of approaches, chemical reaction prediction, improving water quality, enabling autonomous laboratories, to treasuring the lesson learned from AI/ML in computer science when contextualized with its development in chemistry.

Published: 2023-02-22


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CHIMIA, a scientific journal for chemistry in the broadest sense covers the interests of a wide and diverse readership. Contributions from all fields of chemistry and related areas are considered for publication in the form of Review Articles and Notes. A characteristic feature of CHIMIA are the thematic issues, each devoted to an area of great current significance.