The chemical information system and spectral databases

Abstract

From 1970 to 1984, the U.S. Government cooperated with various organizations in the support of the development, maintenance, and distribution of a computer-based chemical information system of spectral and other numeric databases, known as the NIH/EPA Chemical Information System (CIS). This presentation discusses the history of the project and related activities in the area of numeric database activities and summarizes the current state of the project.

Retrieval and interpretative computer programs for mass spectrometry

“…For example, for pollution, chemical exposure, and drug overdose problems the compound identification can be followed automatically by retrieval of its toxicological data. 41 For waste and dump-site screening, the identification could be followed by retrieval of the best disposal methods as well as precautions. For the medically revolutionary chemical diagnosis system of the future, compound identification could be followed by retrieval of the probable disease states.…”

Biodegradation data evaluation for structure/biodegradability relations

“…Independent of its use for structure/biodegradation relations, the on-line availability of these data, we concluded, would constitute a valuable resource. The formats described below were designed to be compatible with the Chemical Information System (CIS) [20], where the Evaluated Biodegradation Data Base file BIODEG, will reside and be available for parameter and substructure searching by the user population.…”

Information Economics and Chemical Toxicity: Designing Laws to Produce and Use Data

“…Costs are now databases that were not of immediate market value, but had research value, have disappeared; 187 and, in the meantime, databases have not been enhanced nor has quality control been ensured. 188 Chemical toxicity databases were included in the new policy. The NIH reduced its support of the CIS to one part-time coordinator in 1982.…”