Thursday 25 April 2024 |
Events for day: Thursday 05 January 2017 |
10:00 - 11:00 Weekly Seminar Navigating drug-like chemical space for drug discovery: Toward looking beyond the human imagination School BIOLOGICAL SCIENCES Farmanieh Building, Third Floor, class A. Ligand-based virtual screening is one of the most applied methodologies in modern drug discovery projects. With increasing the size of compound databases it is very important to develop methods for efficient screening of these databases. Today, the biggest database of molecule, GDB-17 contains more than 166 billion unique chemical structures and this big number demonstrates the critical role of computational enrichment techniques. As the size of the chemical space (the space made by all synthesizable small molecules which contains 1060 organic compounds, approximately) is rather infinit ... |