Information Flow in the Drug Discovery Process

He reads an article, then he selects to work on a special problem. In sources like CAS, MDL/Beilstein and Derwent he checks for novelty,  checks the availability and validates as far as possible if he is on the right track. Then he has to do work, register the work to a database and communicate this work to other members of the group, of the department, of the company and even to the world. MDL helps with an array of application to make it easy to register results for chemists and biologists. Other tools help to communicate these results. 

In this way a circle starts in the area of lead identification. How do we get to the next level, lead optimization? Probably, the scientis prepares a report and and a few slides to get other people's support to take a lead candidate to lead optimization. To prepare his report he needs a decision support systems. For the chemist these are typical SAR tables, graphic representations and reports on experimental results. We have not seen many people that use clustering techniques as daily tools, but this is imaginable. Typical the scientist will use software like: 

• ISIS/Base
• ISIS for Excel
• miner3d.excel
• PowerPoint

Your manager wants to have more information before he makes his decision. He wants to know everything (on his famous fingertips) what is known about a compound, or a similar compound form chemical, biological, ecological to marketing data. Such decision support systems are build in ISIS/Base or other front ends to databases. Today, most applications are Web based. There are never enough resources to build the systems as the management or the scientist would like. Use our experienced programmers to help you building the cheminformatics environment that matches your needs of information flow.