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June 30, 2014, 3:55 p.m.

New Release: MetaSite 5.0 & Mass-MetaSite 3.0

In addition to Phase I CYP metabolism prediction, MetaSite 5.0 includes a new substate specificity and catalytic activity model for the enzyme FMO3, which plays a key role in the detoxification of xenobiotics bearing nucleophilic centres. The model allows improved design of compounds for optimal clearance.

Mass-MetaSite now facilitates analysis of peptides, supports additional hardware formats, allows additional filters in the processing of spectra, and allows batch processing to create WebMetaBase protocol instances.