Transcript Digital Chemistry Ltd and Barnard Chemical Information Ltd John Barnard Sheffield, UK

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 Q2/2006
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
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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 9LF
United Kingdom
[email protected]
www.digitalchemistry.co.uk