IBEX - access and exploit SAR data from patents and journals

presentation · 12 years ago
by Péter Várkonyi (AstraZeneca)
MarvinSketch JChem Base

IBEX is a global AstraZeneca application to access GVKBio's Medicinal Chemistry and Target Databases containing SAR data extracted from medicinal chemistry journals and patents. At GVKBio expert curators populate these databases with explicit relationships between published documents, compounds, assay results and sequences. A web-based application, IBEX provides an intuitive search interface to query more than 3 million entries representing over 2 million unique structures and 10 million SAR points. It uses ORACLE database technology and JChem Base and Marvin to handle chemical searches and structural visualisation. IBEX is currently used in medicinal chemistry projects for prior art checking, library design, ligand- and structure-based virtual screening. It allows AstraZeneca scientists (medicinal chemists, computational chemists, bioinformaticians) to explore wider relationships between ligands and target families. Examples of patent visualisation using, for example, ChemGPS chemical space and patent series identification using molecular frameworks will be given.