Institution: University of Manchester

pKa Prediction from “Quantum Chemical Topology” Descriptors

Jul 24, 2009 - 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…

The SuBliMinaL Toolbox: automating steps in the reconstruction of metabolic networks

Nov 18, 2011 - 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…