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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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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978-3-540-52173-0Springer-Verlag, Berlin Heidelberg 1990deface 发表于 2025-3-30 01:36:53
http://image.papertrans.cn/s/image/870722.jpg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;