Advances in Chemical Biology

0502906 - ÚMG 2019 RIV CZ eng M - Monography Chapter
Popr, Martin - Sedlák, David - Bartůněk, Petr
Compound management – efficient handling of 100K small molecule collection at CZ-OPENSCREEN.
Advances in Chemical Biology. Praha: OPTIO CZ, 2019 - (Bartůněk, P.), s. 130-135. ISBN 978-80-88011-03-3
R&D Projects: GA MŠMT LO1220
Institutional support: RVO:68378050
Keywords : compound management * sample storage * liquid handling * reformatting * laboratory automation * chemical biology
OECD category: Computer sciences, information science, bioinformathics (hardware development to be 2.2, social aspect to be 5.8)

Compound Management (CM) is an interdisciplinary scientific area that has emerged within the two last decades to fulfill the needs of High Throughput Screening (HTS) research (1, 2). The emergence and development of the CM was the driven by the increasing need of drug development industry (primarily pharmaceutical and biotech companies) to efficiently manage rapidly growing collections of chemical samples. The size of typical HTS chemical library ranges from tens of thousands to several millions of individual small organic molecules / compounds and therefore it was necessary develop procedures for their storage, handling, quality control and overall logistics. Modern methods of production of new chemical substances, such as computational and combinatorial chemistry, enabled rapid expansion of available compounds for biological testing (3). Today’s work horses of CM are dedicated robotic and laboratory automation systems and advanced cheminformatic tools, which allow unattended processing of thousands of samples per day(4).The presented work gives some general guidelines on efficient present-day CM, particularly focusing on the description of the approach to CM practiced at the academic environment of the CZ-OPENSCREEN National Infrastructure for Chemical Biology, where around 100,000 of individual chemical samples being utilized and managed.
Permanent Link: http://hdl.handle.net/11104/0295015