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Pharmacophore alignment search tool: Influence of canonical atom labeling on similarity searching |
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| Authors: | Volker Hähnke Matthias Rupp Mireille Krier Friedrich Rippmann Gisbert Schneider |
| Affiliation: | 1. Chair for Chem‐ and Bioinformatics, Johann Wolfgang‐Goethe University, Frankfurt am Main 60323, Germany;2. Eidgen?ssische Technische Hochschule (ETH), Institute of Pharmaceutical Sciences, Zürich 8093, Switzerland;3. Helmholtz Zentrum München, German Research Center for Environmental Health, Neuherberg 85764, Germany;4. Merck KGaA, Merck Serono Research, Bio‐ and Chemoinformatics, Darmstadt 64293, Germany |
| Abstract: | |
| Keywords: | global alignment line notation molecular graph similarity virtual screening |