Literature DB >> 17604383

Searching for drug scaffolds with 3D pharmacophores and neural network ensembles.

Steffen Renner1, Mirko Hechenberger, Tobias Noeske, Alexander Böcker, Claudia Jatzke, Michael Schmuker, Christopher G Parsons, Tanja Weil, Gisbert Schneider.   

Abstract

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Year:  2007        PMID： 17604383     DOI： 10.1002/anie.200604125

Source DB:  PubMed          Journal:  Angew Chem Int Ed Engl        ISSN： 1433-7851            Impact factor:   15.336


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  2 in total

1.  De novo design by pharmacophore-based searches in fragment spaces.

Authors:  Tobias Lippert; Tanja Schulz-Gasch; Olivier Roche; Wolfgang Guba; Matthias Rarey
Journal:  J Comput Aided Mol Des       Date:  2011-09-16       Impact factor: 3.686

2.  Chemically Advanced Template Search (CATS) for Scaffold-Hopping and Prospective Target Prediction for 'Orphan' Molecules.

Authors:  Michael Reutlinger; Christian P Koch; Daniel Reker; Nickolay Todoroff; Petra Schneider; Tiago Rodrigues; Gisbert Schneider
Journal:  Mol Inform       Date:  2013-02-07       Impact factor: 3.353
  2 in total

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