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Computer-assisted organic synthesis software is a type of application software used in organic chemistry in tandem with computational chemistry to help facilitate the tasks of designing, predicting, and producing chemical reactions. CAOS aims to identify a series of chemical reactions which, from a starting compound, can produce a desired molecule.
The 2024 Nobel Prize in chemistry has been awarded to a trio of scientists who used artificial intelligence to “crack the code” of almost all known proteins, the “chemical tools of life ...
Dendral was a project in artificial intelligence (AI) of the 1960s, and the computer software expert system that it produced. Its primary aim was to study hypothesis formation and discovery in science.
The msFineAnalysis AI version for JEOL's GC-time-of-flight mass spectrometers contains a searchable in-silico database of mass spectra calculated for the 100 million structures in the PubChem database. MSGraph Open source: This tool does qualitative analysis of mass spectrometric (MS) data and is hosted by Sourceforge. MSight Freeware
An artificial chemistry [1] [2] [3] is a chemical-like system that usually consists of objects, called molecules, that interact according to rules resembling chemical reaction rules. Artificial chemistries are created and studied in order to understand fundamental properties of chemical systems, including prebiotic evolution , as well as for ...
Artificial intelligence is used in astronomy to analyze increasing amounts of available data [160] [161] and applications, mainly for "classification, regression, clustering, forecasting, generation, discovery, and the development of new scientific insights" for example for discovering exoplanets, forecasting solar activity, and distinguishing ...