Titlebook: Software Development in Chemistry 4; Proceedings of the 4 Johann Gasteiger Conference proceedings 1990 Springer-Verlag, Berlin Heidelberg 1

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Automatic Interpretation of 2D-NMR-Spectra [1]spectrometers equipped with a sample changer 2D-NMR-spectroscopy can be completely done under computer control producing a vaste amount of data, thus shifting the bottle-neck from accumulation to data interpretation. These sophisticated experimental techniques can only be fully utilized by appropria

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AUTONOM: Automatic Generation of IUPAC-Names from Structural Inputversion of AUTONOM will provide the chemical community with a new valuable tool. This paper describes the general design of AUTONOM and presents a detailed analysis of software solutions adopted during the work on the system.

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JCAMP — DX, A Standard?sing errors, and where possible correcting errors will be presented. Future developments in the field of JCAMP-DX type standard formats, with particular reference to the structure transport format JCAMP-CS will also be presented.

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Automatic Interpretation of 2D-NMR-Spectra [1]in advantage of this algorithm is its capability to work only with one-dimensional data thus leading to the possibility to interpret incomplete 2D-NMR data describing only a part of the structure. Some examples selected from natural product chemistry will be given proofing the power of this concept.

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978-3-540-52173-0Springer-Verlag, Berlin Heidelberg 1990

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https://doi.org/10.1007/978-3-642-75430-2Base; Chemical reaction; Computer-Aided Manufacturing (CAM); Computeranwendung/Chemie; Datenbank/Chemie;