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  2. List of computer-assisted organic synthesis software - Wikipedia

    en.wikipedia.org/wiki/List_of_computer-assisted...

    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.

  3. Scientists who used AI to ‘crack the code’ of almost all ...

    www.aol.com/news/scientists-used-ai-crack-code...

    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 ...

  4. List of chemical process simulators - Wikipedia

    en.wikipedia.org/wiki/List_of_chemical_process...

    This is a list of software used to simulate the material and energy balances of chemical process plants. Applications for this include design studies, engineering studies, design audits, debottlenecking studies, control system check-out, process simulation, dynamic simulation, operator training simulators, pipeline management systems, production management systems, digital twins.

  5. Dendral - Wikipedia

    en.wikipedia.org/wiki/Dendral

    Applications of Artificial Intelligence for Organic Chemistry: The Dendral Project. McGraw-Hill Book Company, 1980. Lindsay, Robert K., Bruce G. Buchanan, E. A. Feigenbaum, and Joshua Lederberg. DENDRAL: A Case Study of the First Expert System for Scientific Hypothesis Formation. Artificial Intelligence 61, 2 (1993): 209-261.

  6. Simplified Molecular Input Line Entry System - Wikipedia

    en.wikipedia.org/wiki/Simplified_Molecular_Input...

    SMILES generation algorithm for ciprofloxacin: break cycles, then write as branches off a main backbone. The Simplified Molecular Input Line Entry System (SMILES) is a specification in the form of a line notation for describing the structure of chemical species using short ASCII strings.

  7. From passwords to medical records,10 things to never say to ...

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    Artificial intelligence bots are owned by tech companies and they gather information from you. Here's how to keep your privacy from being exploited. From passwords to medical records,10 things to ...

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