Computergestützte Planung und Vorhersage von Synthesen der konstitutionellen organischen Chemie

A topological code is devised on the basis of the unique topological representation of the molecule described in the preceding two parts of this series.' By adding to the topological code additional chemical information on atoms and/or bonds, as well as stereochemical information, a chemical and respectively stereochemical code (SHOC) are also constructed. The advantages of the new linear codes are that they are convention-free codes, preserving the symmetry of molecular graph, and easily implemented either manually or by means of computer programs. By concentrating all topological, chemical, and stereochemical information, our code (SHOC) is more compact and more general than the codes based on several separate lists.

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Computergestützte Planung und Vorhersage von Synthesen der konstitutionellen organischen Chemie

Cited by 17 publications

References 21 publications

Microcomputers and Organic Synthesis

Microcomputers and Organic Synthesis

ChemInform Abstract: PROJECT AHMOS. IV. COMPUTER‐ASSISTED PLANNING AND PREDICTION OF THE SYNTHESES S OF CONSTITUTIONAL ORGANIC CHEMISTRY

Unique description of chemical structures based on hierarchically ordered extended connectivities (HOC procedures). III. Topological, chemical, and stereochemical coding of molecular structure

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