Databases and Elements of Chemoinformatics

The course aims to introduce and use some databases in chemistry, with particular reference to organic chemistry and to provide students with the basic concepts and the general principles of chemoinformatics.

Students will acquired the ability to: · manage and extract chemical information contained in different databases · read and modify the most common electronic formats of chemical structures (SMILES, SDF, MOL, PDB) · recognize and calculate the most common molecular descriptors · build and evaluate and multivariate models · set up and analyze a conformational analysis calculation · prepare and set up a virtual screening workflow