Minicomputer Oriented Chemical Information System
- 1 January 1979
- journal article
- chemometrics
- Published by Taylor & Francis in Analytical Letters
- Vol. 12 (2) , 109-114
- https://doi.org/10.1080/00032717908055685
Abstract
A combined chemical information system based on three different spectrometries, i. e. IR, MS and CNMR adapted for the minicomputer PDP 11/34 is described. The data base of the system consists of 1000 compounds each one being completely defined by the two dimensional structure image, WLN, chemical name, molecular formula and all three types of spectra (IR, MS and CNMR). The data file organization and system philosophy are described and discussed.Keywords
This publication has 2 references indexed in Scilit:
- Combined retrieval system for infrared, mass, and carbon-13 nuclear magnetic resonance spectraAnalytical Chemistry, 1977
- A Computer-Based Chemical Information SystemScience, 1977