Digital Chemistry Ltd and Barnard Chemical Information Ltd

Digital Chemistry Ltd and Barnard Chemical Information Ltd John Barnard Sheffield, UK www. digitalchemistry. co. uk

Barnard Chemical Information Ltd • Formed by John Barnard in 1985 • Joined by Geoff Downs in 1988, and by Tony Cook and Matthew Wright in 2002 • Consultancy and contract software development • Developed software for Structure fingerprint generation Cluster analysis Markush structure processing etc. • Marketed software toolkits and command-line programs

Introducing Digital Chemistry Ltd • Formed September 2005 by existing BCI Directors BCI is now a wholly-owned subsidiary • Significant expansion of staff, and move to office premises near Leeds • Aims to build new products based on BCI's science and know-how, and expansion into new informatics areas Initial products based on web services for clustering and fingerprint generation New products expected Q 2/2006

Digital Chemistry Directors • Julian Hayward (Managing ) – ex-Synopsys, ex-LHASA UK John Barnard (Scientific) – ex-BCI Tony Cook (Software Engineering) – ex-Synopsys, ex-BCI Geoff Downs (Consultancy) – ex-BCI Matthew Wright (Technical) – ex-MDL, ex-IDBS, ex-BCI

IU Involvement • Visiting Scholar, September/October 1995 School of Library and Information Science • Adjunct Professor, School of Informatics lectures on Chemical Informatics program • BCI/Digital Chemistry software licensed at nominal fee to School of Informatics use on student projects etc.

Interests and Expertise • Handling large chemical datasets Descriptor generation Cluster analysis Diversity analysis • Markush representation of combinatorial libraries Fast processing of virtual libraries without the need for structure enumeration • • property calculation library overlap identification substructure search etc.

Dr John M. Barnard Scientific Director Digital Chemistry Ltd The Iron Shed Harewood House Estate Harewood Leeds LS 17 9 LF United Kingdom john. barnard@digitalchemistry. co. uk www. digitalchemistry. co. uk