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The pictures below show very a schematic research process, the big arrow in the middle represents the different tasks, often in parallel that need to be done to drive compound to become a drug. Above and below are the two major task that confront the scientist after he has chosen his idea what to do. He needs chemicals to prove his idea, and internal and external information to verify his idea.
ORACLE and ISIS became the industry standards for managing chemical information.
Workflow Concept
Before any software project can be started one has to understand the workflow and the communication flow among the people in the company. The main tasks of the scientists are gathering the information, registration of their work, presentation of their work, and communicating with other people and scientist.
The registration concerns mainly the experimental details. For a synthetic chemist this means registering the chemical compounds and reactions in an internal inventory. The biologist records the tests and the accompanying information in a standardized form, so it is available for other people.
The information project provides the scientist with a global search interface to all databases, external and internal. Data Mining technologies are needed to overcome the information overflow.
Decision support systems are needed for selecting the most promising projects. The tools are a combination of in silico applications and efficient data management tools, like the automatic generation of a SAR table.
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