Institution: University of Manchester
pKa Prediction from “Quantum Chemical Topology” Descriptors Publication
Knowing the pKa of a compound gives insight into many properties relevant to many industries, in particular the pharmaceutical industry during drug development processes. In light of this…
July 2009
Product group:
Discovery toolkit
The SuBliMinaL Toolbox: automating steps in the reconstruction of metabolic networks Publication
The generation and use of metabolic network reconstructions has increased over recent years. The development of such reconstructions has typically involved a time-consuming, manual proces…
November 2011
Product group:
IT platform toolkit
Novel Steroid Inhibitors of Glucose 6-Phosphate Dehydrogenase Publication
Novel derivatives of the steroid DHEA 1, a known uncompetitive inhibitor of G6PD, were designed, synthesized, and tested for their ability to inhibit this dehydrogenase enzyme. Several co…
April 2012
Product group:
Desktop applications