INFUSIS - Information Fusion for In Silico Modelling in Pharmaceutical Research

Short link: http://www.his.se/infofusion/infusis

Abstract

One of the most intensive areas of research within the pharmaceutical
industry today is to collect and analyse data on absorption,
distribution, metabolism, excretion and toxicity (ADMET). The main
purpose of this is to guide drug development projects in the search
for promising compounds as well as to detect, as early as possible,
compounds that should not be put forward as drug candidates. Expensive
synthesis and test procedures can often be avoided by instead using
computer simulations, something which often is referred to as in
silico modelling. Information fusion has become a well-established
term for the research field concerned with methods for automatically
or semi-automatically transforming information from multiple sources
into a form that provides effective support for human or automated
decision-making. The overall focus of this project is on information
fusion for in silico modelling by combining information from multiple
sources of molecular information, such as different sets of molecular
descriptors, experimental data on various ADMET properties as well as
libraries of molecules that are manually annotated in free text
format. The aim is to enable generation of more reliable in silico
models, as well as enabling chemists to understand the reasons behind
predictions made by the models, thus ultimately allowing discovery of
new factors for the ADMET properties. Besides addressing the
industrial and scientific research problems, one main objective of the
project is to establish long-term research collaboration between
University of Skövde, University College of Borås, AstraZeneca and
Lexware Labs. From the academic side, the researchers are expected to
benefit from getting access to industrially relevant problems and
non-synthetic data. The companies are expected to benefit from direct
access to researchers developing and evaluating new technology that
potentially have a significant impact on the industrial processes.


Uppdaterad: 2010-03-11
Sidansvarig: Marcus Brohede

Project Leader

Prof. Henrik Boström

www.his.se/bosh

Years: 2009-2011

Funding: 3000kkr