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.
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