Chemoinformatics and analytical approaches in metabolomics
The biochemical essence of metabolism will be illustrated (conjugations, consequences of metabolism and influencing factors), followed by the application of computational techniques able to predict metabolic pathways and metabolites. New analytical strategies will be discussed related to the identification of potential metabolites in biological matrices and their detection with increased sensitivity. Selected practical approaches concerning drug metabolism, ADMET and, particularly, in vivo pharmacokinetics will be critically examined. The course will also focus on the basic principles of chemometrics, QSAR and QSPR, and will provide the tools to analyze statistically the data that are generated in the framework of various research activities. Particular attention will be paid to practical applications in the medicinal chemistry, toxicology and pharmaceutical fields, with practical sessions in the computer lab.
Corso facoltativo per i dottorandi in Scienze Farmaceutiche
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Giudizio di valutazione