Friday, 10 October 2014

Research Seminar – Development of Novel Techniques for Assessing Bioisosteric Similarity of Chemical Fragments

Information School PhD student Matthew Seddon will present a seminar on Tuesday 14 October on the development of novel techniques for assessing bioisosteric similarity of chemical fragments.

Bioisosterism, which is related to the similarity of biological function between two molecules, is an important concept in drug development.  Matthew’s presentation will introduce his current research project, which is concerned with developing new techniques for bioisosteric similarity of chemical fragments.

The presentation will start with a general overview of chemoinformatics techniques and will highlight relevant themes for the project such as molecular similarity, 3D molecular shape, and the similarity property principle. The presentation will then cover experimental work that has been carried out to produce a test set of bioisosteric pairs that can be used to evaluate bioisosteric similarity methods before concluding with an overview of future work.  In particular, the concept of functional descriptors will be introduced and the scope for using these descriptors with functional data analysis will be discussed.

All are welcome to attend and booking is not required.  The seminar takes place at 14:00 in Information School lecture room RC-204.  

No comments: