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Multivariate analysis of experimental and computational descriptors of molecular lipophilicity |
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| Authors: | Raimund Mannhold Gabriele Cruciani Karl Dross Roelof Rekker |
| Affiliation: | 1. Institut für Lasermedizin, Arbeitsgruppe Molekulare Wirkstoff-Forschung, Heinrich-Heine-Universit?t Düsseldorf, Universit?tsstr. 1, D-40225, Düsseldorf, Germany 2. Dipartimento di Chimica, Laboratorio di Chemiometria, Università di Perugia, Via Elce di Sotto, 8, I-06123, Perugia, Italy 3. Institut für Hirnforschung, Heinrich-Heine-Universit?t Düsseldorf, Universit?tsstr. 1, D-40225, Düsseldorf, Germany 4. Vakgroep Farmacochemie, Faculteit Scheikunde Vrije, Universiteit Amsterdam, De Boelelaan 1083, 1081 HV, Amsterdam, The Netherlands |
| Abstract: | |
| Keywords: | calculation procedures diversity searching in databases linear regression octanol/water partitioning (log Poct) principal component analysis reversed-phase thin-layer chromatography |
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