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ftrees [2012/11/07 20:34]
rkiss
ftrees [2013/01/14 10:43]
sanmark
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 ====== BioSolveIT FTrees Visual Similarities ====== ====== BioSolveIT FTrees Visual Similarities ======
  
-{{:​ftrees.png?​800|}}+{{:​ftrees.png?​700|}}
  
 [[http://​www.biosolveit.de|BioSolveIT'​s]] FTrees Visual Similarities is a highly efficient tool for scaffold hopping (i.e. identify new molecular scaffolds and maintain activity) and ligand-based [[http://​en.wikipedia.org/​wiki/​Virtual_screening|virtual screening]]. Its underlying topological descriptor (the Feature Tree) captures connectivity and physico-chemical properties of functional groups. The reduced graph representation that preserves the pharmacophore characteristics of the ligands in a fuzzy way enables the identification of novel scaffolds. Moreover, the topological Feature Tree descriptor makes similarity assessment extremely fast compared to 3D approaches and is also exempt from the uncertainties of 3D coordinate calculation. [[http://​www.biosolveit.de|BioSolveIT'​s]] FTrees Visual Similarities is a highly efficient tool for scaffold hopping (i.e. identify new molecular scaffolds and maintain activity) and ligand-based [[http://​en.wikipedia.org/​wiki/​Virtual_screening|virtual screening]]. Its underlying topological descriptor (the Feature Tree) captures connectivity and physico-chemical properties of functional groups. The reduced graph representation that preserves the pharmacophore characteristics of the ligands in a fuzzy way enables the identification of novel scaffolds. Moreover, the topological Feature Tree descriptor makes similarity assessment extremely fast compared to 3D approaches and is also exempt from the uncertainties of 3D coordinate calculation.
ftrees.txt ยท Last modified: 2013/01/14 11:01 by sanmark