轨道 发表于 2025-3-28 17:39:23

Automatic Interpretation of 2D-NMR-Spectra 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

护身符 发表于 2025-3-28 18:55:53

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讨人喜欢 发表于 2025-3-29 01:51:51

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Merited 发表于 2025-3-29 05:30:26

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.

Cupidity 发表于 2025-3-29 07:30:07

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.

Paleontology 发表于 2025-3-29 13:59:08

Automatic Interpretation of 2D-NMR-Spectra 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.

透明 发表于 2025-3-29 15:47:44

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裤子 发表于 2025-3-29 23:27:42

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

deface 发表于 2025-3-30 01:36:53

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凶兆 发表于 2025-3-30 07:46:55

https://doi.org/10.1007/978-3-642-75430-2Base; Chemical reaction; Computer-Aided Manufacturing (CAM); Computeranwendung/Chemie; Datenbank/Chemie;
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查看完整版本: Titlebook: Software Development in Chemistry 4; Proceedings of the 4 Johann Gasteiger Conference proceedings 1990 Springer-Verlag, Berlin Heidelberg 1