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[Blog]
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[News]
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Can we trust docking results?
Sept 2010 IBM Systems and Technology Group releases a white paper with eHiTS and Cell
Oct 2008
EPA's ToxCastTM project will use SimBioSys' eHiTS as docking engine
Nov, 2007
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[Events]
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| 243rd ACS
Mar 25-29, 2012
San Diego, CA
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Philadelphia, PA, USA Aug 17-21, 2008
Introducing CLiDE Pro
Aniko Valko (1), A. Peter Johnson (2), Aniko Simon (3)
(1) Keymodule Ltd., Leeds, UK
(2) University of Leeds, Leeds, UK
(3) SimBioSys Inc., 135 Queen's Plate Dr, Unit 520, Toronto, ON M9W 6V1, Canada
Abstract:
CLiDE Pro is the latest incarnation of software to emerge from the long-term
CLiDE (Chemical Literature Data Extraction) project. Chemical OCR involves
three main problems: (a) identification of chemical images within a document,
(b) compilation of chemical graphs of individual molecules from chemical
images, and (c) interpretation of complex objects such as generic molecules
and reaction schemes using the retrieved chemical graphs. The structure
recognition methods implemented in CLiDE Pro will be presented. Structure
features which frequently cause problems such as crossing bonds, lines found
in various chemical entities such as single bonds attached to triple bonds,
dashed bonds and parts of atom labels commonly misclassified as lines (e.g. I
and Cl) will be discussed together with our solutions to these problems. A
key component of the presentation will be CLiDE Pro's approach to the
interpretation of generic structures.
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Full Presentation
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