Saturday, 23 May 2015, 00:38:20
Aim of Curios-IT Print

Curios-IT is a brand-new cheminformatics company. We build tools to extract chemical and biological knowledge from your data. These tools can help you speed up your drug design projects.

Our current focus lies on the computational extraction of interesting substructures. AweSuM, the Awesome Substructure Miner, was built for this purpose and is being extended and optmised. AweSuM employs a method called substructure mining to find only interesting substructures. 

This site will contain various details about key substructures, the substructure mining method, our charitable goals, and more. So, act on your curiosity by browsing this site and contacting us!

 

Spark

Chemical representation
Computers do not always comprehend chemical information in a way that appeals to chemists. Most cheminformatics methods represent compounds as a mere set of descriptor values and then ignore the molecular structure. As no set of molecular descriptor can capture all biologically important features, such statistical cheminformatics approaches inevitably neglect most of the chemical information that is present in a set of compounds.
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