AKos
Consulting & Solutions GmbH
a chemoinformatics company

 

 

AKos
Consulting & Solutions GmbH
a chemoinformatics company

 

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Novelty

Management of the “claims” of chemical compounds (external).

Main goals

Main sources

Technical realization

Compound Selector in DiscoveryGate

Explanation:

Before we go on with our idea we have to investigate if it is novel and/or if it is already claimed. If our idea is a chemical structure the first look is at CAS, and DiscoveryGate. Most chemists have access to a person who searches in CAS or has his own on-line access. Additional information he might find in Beilstein or in very specialized sources. ACD-SC has many compounds that were never reported in CAS, and many that were never made. However, alone the fact that someone predicts that he can make the compound leads to the idea to look for access to precursors. On the Internet are also some sources, but, presently they are more obscure and there is no way to make a comprehensive search. For patents we need to search in MDL Patent Chemistry Database (PCD) and Derwent. PCD is suitable for chemists and at the time being preferably used via the Commander interface. For larger companies it is essential to search the own records, and most companies have solved this with MDL technology. Some of the large amount of Russian literature might be hidden in some long forgotten databases at VINITI. But even here, Infochem's reaction databases (SPRESI) might offer an electronic entry.