Author: Michael J. Bodkin


Algorithms, Evolution and Network-Based Approaches in Molecular Discovery

May 20, 2015 - Presentation
Drug research generates huge quantities of data around targets, compounds and their effects. Network modelling can be used to describe such relationships with the aim to couple our unders…

Knowledge-Based Approach to de Novo Design Using Reaction Vectors

Apr 21, 2009 - Publication
A knowledge-based approach to the de novo design of synthetically feasible molecules is described. The method is based on reaction vectors which represent the structural changes that take…

3D QSAR Methods: Phase and Catalyst Compared

May 4, 2007 - Publication
The programs Phase and Catalyst HypoGen are compared for their performance in determining three-dimensional quantitative structure-activity relationships. Eight sets of compounds with mea…