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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 .
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.
Organic chemistry is a subdiscipline within chemistry involving the scientific study of the structure, properties, and reactions of organic compounds and organic materials, i.e., matter in its various forms that contain carbon atoms. [1]
Organic reactions machine-readable reaction schemes "ORD" [8] 2,000,000 OrgSyn Organic Syntheses: Organic Syntheses, Inc. Reliable chemical reactions Searchable experimental procedures Peer reviewed "OrgSyn search". PDB PDBe Protein Data Bank in Europe EMBL-EBI: has some chemicals as well as proteins "PDBe". PATENTSCOPE: WIPO "PATENTSCOPE ...
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 ...
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]