The standard molecular data format (SMD format) as an integration tool in computer chemistry

Bebak, H.; Buse, Christian; Donner, W.; Hoever, P.; Jacob, Huisman; Klaus, H.; Pesch, J.; Roemelt, J.; Schilling, Patrick; al., et

doi:10.1021/ci00061a002

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Cited by 14 publications

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“…The following formats are available for import and export of data for selected fields: chemical structure, MDL Molfile, JCAMP-CS, Standard Molecular Data (SMD); IR spectra, JCAMP, Perkin-Elmer Instrumental; mass spectra, JCAMP, Finnigan Instrumental, Nicolett Instrumental; NMR spectra, JCAMP, Aspect 2000/3000 FID (Bruker). A simple format for array data was created.…”

Section: Databasesmentioning

confidence: 99%

CheD: Chemical Database Compilation Tool, Internet Server, and Client for SQL Servers

Trepalin

Yarkov

2000

J. Chem. Inf. Comput. Sci.

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An efficient program, which runs on a personal computer, for the storage, retrieval, and processing of chemical information, is presented. The program can work both as a stand-alone application or in conjunction with a specifically written Web server application or with some standard SQL servers, e.g., Oracle, Interbase, and MS SQL. New types of data fields are introduced, e.g., arrays for spectral information storage, HTML and database links, and user-defined functions. CheD has an open architecture; thus, custom data types, controls, and services may be added. A WWW server application for chemical data retrieval features an easy and user-friendly installation on Windows NT or 95 platforms.

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Section: Databasesmentioning

confidence: 99%