Expert idea generators

While de novo design methods can produce fully assembled structures, a chemist s expertise is often decisive for generation of novel leads that are synthetically accessible. Step-by-step fragment assembly under supervision of the human expert is implemented in SQUIRRELnovo, which can be used as an idea generator for medicinal chemistry. Fragments that are superposed with the query... 

This symposium series volume is the second of its kind (1). Both symposia were organized with several purposes in mind. The first, and most general, is simply to expose the chemical community to expert systems. Expert systems should be of interest to people in a wide variety of fields of chemistry. The second is to educate chemists in the capabilities of expert systems both what they can and can not do for them. Finally, by presenting a variety of applications, it was hoped that attendees would generate further new ideas for expert system applications. The second symposium presented the additional opportunity to review the progress of some of the work described in the first symposium. 

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