The evolution of an on-line chemical search system for an industrial research unit.

The objectives of this study were to design an information
system, using modern computer technology, to meet a research
chemist's need for chemical structural information, to quantify
the effects of increasing degrees of computer technology on the
use made of the facilities, and to relate the use of the service
back to the individual chemist, his performance and background.
A computer system was developed based on Wiswesser Line Notation
and molecular formula as the chemical structure descriptors. Systems design and analysis were performed so that access to the
information could be obtained directly for individual compounds
and more generally for classes of compounds.
As the system was being developed, its use by information staff
was monitored by constant interaction with the people concerned.
Where appropriate, the system was modifiea to meet information
staff's requirements, but a number of precautions had to be
introduced to prevent mis-use.
The research chemists' use of the information services was
studied retrospectively over a two-year period. In addition
to the use made, several other factors were observed for each
chemist. These included performance measures and background
information on the chemists' research role.
The data showed a steady increase in the demand for the services
by the research chemist as the degree of computerisation
increased. The use made of the services related closely to the
number of compounds prepared by each chemist, but there was no
significant correlation between a chemist's success in preparing
biologically active compounds and his information use.
The very individual way in which chemists conduct their research
was highlighted by the wide range of use of the information
facilities and the low correlation with background factors. This
makes the design of on-line systems for use by chemists themselves
complex and justifies the existence of the information scientist
as an interface.