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Flexible alignment in 3D & applications presented at ACS Fall meeting, Boston, 2010 Presentation
Fully flexible 3D alignment method without the need for sampling the conformational space is presented. This approach offers advantages over methods that rely on multiple conformations. (…
September 2010
Product group:
Discovery toolkit
Virtual Libraries and Virtual Screening in Drug Discovery Processes using KNIME Presentation
Based around ChemAxon’s discovery tools we will discuss key aspects of virtual high throughput screening methods including management and characterization of virtual libraries, alte…
Compound library annotation Presentation
Key Topics:
Virtual screening
Molecular descriptors
Pharmacophore similarity
Chemical space
Clustering
Scaffold
Maximum Common Substructure
Total diversity
Additional resources
Recent s…
Screen Presentation
April 2008
Optimized Virtual Screening Presentation
Drug research is often termed as searching for a needle in a haystack. Virtual screening is widely recognized as a valuable tool to effectively reduce the size of the ‘haystack̵…
November 2003
Product group:
Discovery toolkit
Drug Discovery Drama Presentation
Four scientists muddy their paws in early phase drug discovery. Bravely our heroes apply ChemAxon’s discovery tools in their challenge. Will they succeed? Will you? All-star toolkit…
May 2010
Chemaxon in 3D Presentation
Conventional ChemAxon technologies focus on bare topological features of molecules and ChemAxon have been recognised as a 2-dimensional company that provides cheminformatics tools. Yet, C…
September 2009
ChemAxon in 3D Presentation
Conventional ChemAxon technologies focus on bare topological features of molecules and ChemAxon has been recognised as a 2-dimensional company that provides cheminformatics tools. Yet, Ch…
June 2009
Screening a Virtual Compound Space Presentation
From virtual screening to de novo drug design, there is a wide spectrum of tools available for computer aided drug discovery. The methods developed have their strengths as well as their w…
July 2004
Product group:
Discovery toolkit
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