2014-02-19 16:46:24 - Andreas Bender will present on new approaches in computational methods at the Drug Design & Medicinal Chemistry Conference, to be held May 8-9, 2014 in Berlin, Germany.
While more and more chemical and biological information is becoming available, both in public databases and company repositories, knowing how to make use of this information in chemical biology and drug discovery settings is much less clear. Dr. Bender will discuss how chemical and biological information from different domains, such as compound bioactivity data, pathway annotations from the bioinformatics domain, and gene expression data, can be used for a variety of purposes. These include: having mode-of-action analysis from phenotypic readouts, anticipating compound toxicities in early discovery, and designing and selecting compound with the desired bioactivities.
Dr. Bender will show that cheminformatics algorithms trained on large chemogenomics databases can be employed to support target deconvolution in high-content screening as well as
organism-based screens using Xenopus laevis as well as phenotypic data obtained from rat models. When anticipating compound adverse compound properties early on, gene expression data can be used for this purpose; however, generating and analyzing data is very much case-dependent. For compound design and selection, Dr. Bender will discuss employing both bioactivity-driven approaches as well as gene expression based resources, and give examples of both.
Dr. Bender is a Lecturer for Molecular Informatics with the Unilever Centre for Molecular Science Informatics at the University of Cambridge, where he is involved with the integration and analysis of chemical and biological data aimed at understanding phenotypic compound on a mechanistic level, ranging from compound efficacy to toxicity. He and other leaders in the field will gather at the Drug Design & Medicinal Chemistry meeting to discuss advances in protein-protein interactions, epigenetics, flow chemistry, and much more.
For more information, please visit www.gtcbio.com/medchem.