Chemistry in Times of Artificial Intelligence.

Chemistry in Times of Artificial Intelligence. Chemphyschem. 2020 Aug 18;: Authors: Gasteiger J Abstract Chemists have to a large extent gained their knowledge by doing experiments and thus gather data. By putting various data together and then analyze them chemists have fostered their understanding of chemistry. Since the 1960s computer methods have been developed to perform this process from data to information to knowledge. Simultaneously, methods were developed for assisting chemists in solving their fundamental questions such as the prediction of chemical, physical or biological properties, the design of organic syntheses, and the elucidation of the structure of molecules. This eventually led to a discipline of its own: chemoinformatics. Chemoinformatics has found important applications in the fields of drug discovery, analytical chemistry, organic chemistry, agrichemical research, food science, regulatory science, material science, and process control. From its inception, chemoinformatics has utilized methods from artificial intelligence, an approach that has recently gained more momentum. PMID: 32808729 [PubMed - as supplied by publisher]
Source: Chemphyschem - Category: Chemistry Authors: Tags: Chemphyschem Source Type: research