Standard Exchange Formats for Spectral Data

Davies, Antony N.

doi:10.1002/0470845015.csa023

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S: Database Systems1

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2006

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“…143 Spectroscopic data acquired from the spectrometer are first converted into the JCAMP (Joint Committee on Atomic and Molecular Physical Data) format. 144 The TranSpec program 145 is used to input or import structures in MDL CTFile format. 146 Quality control modules are used to check the reliability of the information.…”

Section: S: Database Systemsmentioning

confidence: 99%

Chemoinformatics: Past, Present, and Future^†

Chen

2006

J. Chem. Inf. Model.

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The history of chemoinformatics is reviewed in a decade-by-decade manner from the 1940s to the present. The focus is placed on four traditional research areas: chemical database systems, computer-assisted structure elucidation systems, computer-assisted synthesis design systems, and 3D structure builders. Considering the fact that computer technology has been one of the major driving forces of the development of chemoinformatics, each section will start from a brief description of the new advances in computer technology of each decade. The summary and future prospects are given in the last section.

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Section: S: Database Systemsmentioning

confidence: 99%