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  2. Chemical graph generator - Wikipedia

    en.wikipedia.org/wiki/Chemical_graph_generator

    A chemical graph generator is a software package to generate computer representations of chemical structures adhering to certain boundary conditions. The development of such software packages is a research topic of cheminformatics .

  3. 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.

  4. Dendral - Wikipedia

    en.wikipedia.org/wiki/Dendral

    Heuristic Dendral "would serve as a template for similar knowledge-based systems in other areas" rather than just concentrating in the field of organic chemistry. Meta-Dendral was a model for knowledge-rich learning systems that was later codified in Tom Mitchell's influential Version Space Model of learning. [1]

  5. List of chemical compounds with unusual names - Wikipedia

    en.wikipedia.org/wiki/List_of_chemical_compounds...

    Chemical nomenclature, replete as it is with compounds with very complex names, is a repository for some names that may be considered unusual. A browse through the Physical Constants of Organic Compounds in the CRC Handbook of Chemistry and Physics (a fundamental resource) will reveal not just the whimsical work of chemists, but the sometimes peculiar compound names that occur as the ...

  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. DeepSeek releases ‘revolutionary’ AI image generator amid ...

    www.aol.com/deepseek-releases-revolutionary-ai...

    DeepSeek’s Janus-Pro is free-to-use without restriction, unlike image generators built by US rivals like OpenAI and Stability AI. It also marks a breakthrough in the way such models are trained ...

  8. Structural formula - Wikipedia

    en.wikipedia.org/wiki/Structural_formula

    Skeletal structural formula of Vitamin B 12.Many organic molecules are too complicated to be specified by a molecular formula.. The structural formula of a chemical compound is a graphic representation of the molecular structure (determined by structural chemistry methods), showing how the atoms are connected to one another. [1]

  9. Skeletal formula - Wikipedia

    en.wikipedia.org/wiki/Skeletal_formula

    The skeletal formula of the antidepressant drug escitalopram, featuring skeletal representations of heteroatoms, a triple bond, phenyl groups and stereochemistry. The skeletal formula, line-angle formula, bond-line formula or shorthand formula of an organic compound is a type of molecular structural formula that serves as a shorthand representation of a molecule's bonding and some details of ...