News & Events
International School on Molecular Descriptors A summer school on molecular descriptors will be held in Italy in 2012 within the framework of the EU Project "Environmental ChemOinformatics" (ECO).
The school will be organized by prof. Roberto Todeschini and his Milano Chemometrics group. The school will be open also to students and colleagues not involved into the ECO Project.
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MOLE db - Molecular Descriptors Data Base The MOLE db - Molecular Descriptors Data Base is a free on-line database constituted of 1124 molecular descriptors calculated on 234773 molecules. This data base is intended as a research and teaching tool and basically allows the researcher to: a) search for a specific group of molecules and analyse the corresponding values of molecular descriptors b) save in an output file the values of a block of molecular descriptors calculated on a group of molecules.
Explore the data base here.
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