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For review cf. (a) Rossiter K. Chem. Rev. 96:1996;3201 (b) Fráter G., Bajgrowicz J.A., Kraft P. Tetrahedron. 54:1998;7633 (c) Kraft P., Bajgrowicz J.A., Denis C., Fráter G. Angew. Chem., Int. Ed. 39:2000;2980 (d) Boelens, M. Perfumer Flavorist 2002, 27 (July/August), 34.
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For review cf. (a) Rossiter K. Chem. Rev. 96:1996;3201 (b) Fráter G., Bajgrowicz J.A., Kraft P. Tetrahedron. 54:1998;7633 (c) Kraft P., Bajgrowicz J.A., Denis C., Fráter G. Angew. Chem., Int. Ed. 39:2000;2980 (d) Boelens, M. Perfumer Flavorist 2002, 27 (July/August), 34.
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Kraft, P.1
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8
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85031173868
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Called substantivity by perfumers and fragrance chemists.
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10
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0033712368
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7-10 aliphatic aldehydes) assay, albeit it is far from being straightforward and its meaningfulness to humans has not been proven:
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7-10 aliphatic aldehydes) assay, albeit it is far from being straightforward and its meaningfulness to humans has not been proven: Araneda R.C., Kini A.D., Firestein S. Nat. Neurosci. 3:2000;1248.
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Araneda, R.C.1
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11
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85031174452
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These approaches, based on slight structural changes of a known lead ('me-too') or combining structural features of different molecules having similar pharmacologoical effects ('mecano') are probably still the most successful approaches in bringing new medicins to the market.
-
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13
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12444316468
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(a) Teisseire P., Corbier B., Plattier M. Recherches (Paris). 16:1967;5 (b) Näf F., Decorzant R., Thommen W., Willhalm B., Ohloff G. Helv. Chim. Acta. 58:1975;1016.
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(a) Morris A.F., Näf F., Snowden R.L. Perfumer Flavorist. 16:1991;33 (b) Schulte-Elte, K.-H.; Willhalm, B.; Gautschi, F. US Patent 4147672, 1979 (priority 1974, to Firmenich); Chem. Abstr. 1979, 91, 19986.
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Morris, A.F.1
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Sprecker, M., A. US Patent 4735932, 1988 (priority 1987, to IFF); Chem. Abstr. 1988, 109, 169913.
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Bourdin, B.; Fráter, G.; Bajgrowicz, J. A. Eur. Pat. Appl. 913383, 1999 (priority 1997, to Givaudan); Chem. Abstr. 1999, 130, 338271.
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Eur. Pat. Appl. 1063229, 2000 (priority 1999, to Givaudan)
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Berg-Schultz, K.; Bajgrowicz, J. A. Eur. Pat. Appl. 1063229, 2000 (priority 1999, to Givaudan); Chem. Abstr. 2001, 134, 61263.
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Goeke, A.1
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26
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85031177736
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The price criteria and practical aspects are much more constraining and taken into consideration from the very early stages of the fragrance and flavour research than in the pharmaceutical studies.
-
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28
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0003755861
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Müller, P. M.; Lamparsky, D., Eds; Elsevier Applied Science: London
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85031165273
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Accelrys Inc.: 9685 Scranton Road, San Diego, CA 92121, USA
-
Catalyst™ 4.6; Accelrys Inc.: 9685 Scranton Road, San Diego, CA 92121, USA.
-
Catalyst™ 4.6
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35
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0028550028
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(a) Greene J., Kahn S., Savoj H., Sprague P., Teig S.J. Chem. Inf. Comput. Sci. 34:1994;1297
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85031166876
-
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note
-
As it is difficult to find the consensus on the most appropriate ΔE, the values of 5, 10 and 15 kcal/mol were tried. The hypotheses generated using the last two values gave the highest and comparable correlation factor values.
-
-
-
-
39
-
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0001383234
-
-
Guner, O. Ed.; IUL BioTechnology Series; International. University Line; La Jolla
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Li, H.; Sutter, J.; Hoffmann, R. In Pharmacophore Perception, Development and Use in Drug Design; Guner, O. Ed.; IUL BioTechnology Series; International University Line; La Jolla, 2000; p 173.
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Pharmacophore Perception, Development and Use in Drug Design
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Li, H.1
Sutter, J.2
Hoffmann, R.3
-
40
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85031177491
-
-
The correlation factor could have been significantly higher if we had included more inactive molecules, structurally more different from the active ones. This would however not improve the quality of the generated hypotheses.
-
-
-
-
41
-
-
85031168856
-
-
Generated using Moloc software: http://www.moloc.ch .
-
-
-
-
42
-
-
85031165321
-
-
Other possibilities to discriminate between structurally similar active and inactive odorants by delimiting the hypothetical lipophilic part of the binding site consist in placing the Catalyst™ excluded volumes and/or using the shape parameter. They are being tried.
-
-
-
-
45
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85031166359
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Eur. Pat. Appl. 429287, 1991 (priority 1989, to Allergan)
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Garst, M. E.; Syage, E. T. Eur. Pat. Appl. 429287, 1991 (priority 1989, to Allergan); Chem. Abstr. 1991, 115, 183071.
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Syage, E.T.2
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12444294605
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Eur. Pat. Appl. 155591, 1985 (priority 1984, to Firmenich)
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Schulte-Elte, K.-H.; Mueller, B.; Pamingle, H. Eur. Pat. Appl. 155591, 1985 (priority 1984, to Firmenich); Chem. Abstr. 1986, 105, 191435.
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Schulte-Elte, K.-H.1
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