Pfizer SOCRATES

In-house chemical information management systems began to emerge at some of the larger chemical and pharmaceutical firms. These included CONTRAST and SOCRATES at Pfizer, SYNLIB at SmithKline, COUSIN at Upjohn, MSDRL/CSIS at Merck, and CROSSBOW at ICI (27). The Chemical Abstracts database was made available online in 1967 (28). In 1980 this became CAS ONLINE. A compre-... 

DEVELOPMENT OF THE PFIZER INTEGRATED RESEARCH DATA SYSTEM SOCRATES... 

This paper describes the development of SOCRATES, a state-of-the-art user-oriented interactive research data management system in regular use in Pfizer Central Research, Sandwich. The chief attribute of SOCRATES is a high degree of integration of both data and functionality, achieved primarily through the exploitation of a database management system. System 1032, and the effective use of bit screen arrays. These technical features are described and illustrated with examples of SOCRATES in use. 

SOCRATES is used widely by Pfizer scientists in a VAX cluster computer environment at Sandwich and is well regarded both for its ease of use and its range of integrated search capabilities, allowing combinations of a variety of chemical and biological search parameters. 

It was also fortuitous for us that one of John Figueras colleagues, Craig Shelley, had written a graphical structure output program that he was prepared to let Pfizer have for use in SOCRATES. This program, also written in FORTRAN, was integrated into our system with only minor modification. 

Bawden, D. Devon, T.K. Faulkner, D.A. Fisher, J.D. Reeves, R.J. Woodward, F.E. Development of the Pfizer Integrated Research Data System SOCRATES . In these Proceedings. 

This paper describes techniques, based on quantitative measures of intermolecular similarity, for browsing and clustering within computerised chemical information systems. In particular, their implementation within the SOCRATES chemical databank system at Pfizer Central Research, Sandwich, is described much of this work was carried out by Vivienne Winterman, a CASE student in the Department of Information Studies, Sheffield University. Although these methods have only recently been introduced into operational information systems, the basic ideas are those pioneered by Greorge Adamson s group at Sheffield. ... 

Devon, T. K. Development of the Pfizer Integrated Research Data System SOCRATES . In these Proceedings. 

I shall now outline some applications for this sort of dissimilarity ranking. Most of these are in regular use within the SOCRATES chemical databank system at Pfizer Central Research, Sandwich. 

The molecules in these data-sets were then characterised by the presence or absence of the screens that are used for substructure searching in SOCRATES, the Pfizer Central Research chemical and biological databank system . In the case of the 2-D structures, there were 1315 atom-centred, bond-centred and atom sequence fragment screens in the case of the 3-D structures, there were 1471 inter-atomic distance screens. ... 

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