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Neighborhood-preserving visualization of adaptive structure-activity landscapes: application to drug discovery
Authors:Reutlinger Michael  Guba Wolfgang  Martin Rainer E  Alanine Alexander I  Hoffmann Torsten  Klenner Alexander  Hiss Jan A  Schneider Petra  Schneider Gisbert
Affiliation:Department of Chemistry and Applied Biosciences, Wolfgang-Pauli-Strasse 10, 8093 Zurich, Switzerland.
Abstract:
Keywords:chemical space  computational chemistry  drug discovery  medicinal chemistry  structure–activity relationships
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