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ACD/Labs 5th Annual European Users' Meeting 2004 (EUM)
Advanced Chemical Structure Drawing and Handling within the ACD/Labs Architecture
Guy Desmarquets
Abstract
Since the early stages of ACD/Labs as a specialist software development company, we have developed a clear depth and breadth of the capabilities within our chemical structure drawing package, and the extension of these structures as a means of prediction and linkage to different forms of data, and as a means of effective communication.
The objective of this talk is to discuss the key role that these structures have within the software architecture. This includes the different ways that a structure can be represented including, Name, smiles strings, barcode, etc., and how they can be imported and exported to/from third-party packages. Additionally, as the first vendor to implement a highly visual form of Markush as a means of incomplete structure representation, a consideration of this and the other structural types is made and their impact on structure searching (inside reports, different structure files, across networks, barcodes, Palm™ Pocket PC™, etc.).
Download the presentation in MS PowerPoint (1.12 Mb ZIP file) or Adobe Acrobat format (1.09 Mb PDF file).
Relevant Product: ChemSketch
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