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Journal articles on the topic 'Structure-activity relationship (Biochemistry)'

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Published: 4 June 2021
Last updated: 1 February 2022

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1

Wawer, Mathias J., David E. Jaramillo, Vlado Dančík, Daniel M. Fass, Stephen J. Haggarty, Alykhan F. Shamji, Bridget K. Wagner, Stuart L. Schreiber, and Paul A. Clemons. "Automated Structure–Activity Relationship Mining." Journal of Biomolecular Screening 19, no. 5 (April 7, 2014): 738–48. http://dx.doi.org/10.1177/1087057114530783.

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Understanding the structure–activity relationships (SARs) of small molecules is important for developing probes and novel therapeutic agents in chemical biology and drug discovery. Increasingly, multiplexed small-molecule profiling assays allow simultaneous measurement of many biological response parameters for the same compound (e.g., expression levels for many genes or binding constants against many proteins). Although such methods promise to capture SARs with high granularity, few computational methods are available to support SAR analyses of high-dimensional compound activity profiles. Many of these methods are not generally applicable or reduce the activity space to scalar summary statistics before establishing SARs. In this article, we present a versatile computational method that automatically extracts interpretable SAR rules from high-dimensional profiling data. The rules connect chemical structural features of compounds to patterns in their biological activity profiles. We applied our method to data from novel cell-based gene-expression and imaging assays collected on more than 30,000 small molecules. Based on the rules identified for this data set, we prioritized groups of compounds for further study, including a novel set of putative histone deacetylase inhibitors.
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2

Hu, J. P., M. Calomme, A. Lasure, T. De Bruyne, L. Pieters, A. Vlietinck, and D. A. Vanden Berghe. "Structure-activity relationship of flavonoids with superoxide scavenging activity." Biological Trace Element Research 47, no. 1-3 (January 1995): 327–31. http://dx.doi.org/10.1007/bf02790134.

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3

Nagamurthi, G., and S. Rambhav. "Gramicidin-S: Structure-activity relationship." Journal of Biosciences 7, no. 3-4 (June 1985): 323–29. http://dx.doi.org/10.1007/bf02716794.

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4

Ávila, Hugo Pereira, Elza de Fátima Albino Smânia, Franco Delle Monache, and Artur Smânia. "Structure–activity relationship of antibacterial chalcones." Bioorganic & Medicinal Chemistry 16, no. 22 (November 2008): 9790–94. http://dx.doi.org/10.1016/j.bmc.2008.09.064.

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5

Bonafoux, Dominique F., Sheri L. Bonar, Michael Clare, Ann M. Donnelly, Jeanette L. Glaenzer, Julia A. Guzova, He Huang, et al. "Aminopyridinecarboxamide-based inhibitors: Structure–activity relationship." Bioorganic & Medicinal Chemistry 18, no. 1 (January 2010): 403–14. http://dx.doi.org/10.1016/j.bmc.2009.10.040.

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6

Shih-Fong, Chen, Lisa M. Papp, Robert J. Ardecky, Ganti V. Rao, David P. Hesson, Martin Forbes, and Daniel L. Dexter. "Structure-activity relationship of quinoline carboxylic acids." Biochemical Pharmacology 40, no. 4 (August 1990): 709–14. http://dx.doi.org/10.1016/0006-2952(90)90305-5.

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7

Ma, Anqi, Wenyu Yu, Yan Xiong, Kyle V. Butler, Peter J. Brown, and Jian Jin. "Structure–activity relationship studies of SETD8 inhibitors." MedChemComm 5, no. 12 (2014): 1892–98. http://dx.doi.org/10.1039/c4md00317a.

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8

Desai, A., C. Lee, L. Sharma, and A. Sharma. "Lysozyme refolding with cyclodextrins: structure–activity relationship." Biochimie 88, no. 10 (October 2006): 1435–45. http://dx.doi.org/10.1016/j.biochi.2006.05.008.

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9

Deng, Lisheng, Zana Muhaxhiri, Mary K. Estes, Timothy Palzkill, B. V. Venkataram Prasad, and Yongcheng Song. "Synthesis, activity and structure–activity relationship of noroviral protease inhibitors." MedChemComm 4, no. 10 (2013): 1354. http://dx.doi.org/10.1039/c3md00219e.

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10

Tsukano, Chihiro, and Makoto Sasaki. "Structure–activity relationship studies of gymnocin-A." Tetrahedron Letters 47, no. 38 (September 2006): 6803–7. http://dx.doi.org/10.1016/j.tetlet.2006.07.081.

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11

Sarin, Rakesh, Deepak Kumar Tuli, Shanti Prakash, Krishan Kumar Swami, and Akhilesh Kumar Bhatnagar. "Phosphorus Components in Lubricants: Structure-Activity Relationship." Phosphorus, Sulfur, and Silicon and the Related Elements 177, no. 6-7 (June 1, 2002): 1763–66. http://dx.doi.org/10.1080/10426500212254.

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12

Mansour, Tarek S., Colleen A. Evans, M. Arshad Siddiqui, Marie Charron, Boulos Zacharie, Nghe Nguyen-Ba, Nola Lee, and Brent Korba. "Structure-Activity Relationship of Pyrimidine Heterosubstituted Nucleoside Analogues." Nucleosides and Nucleotides 16, no. 7-9 (July 1997): 993–1001. http://dx.doi.org/10.1080/07328319708006122.

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13

Murthi, Krishna K., Marja Dubay, Christopher McClure, Leonardo Brizuela, Michael D. Boisclair, Peter J. Worland, Muzammil M. Mansuri, and Kollol Pal. "Structure–activity relationship studies of flavopiridol analogues." Bioorganic & Medicinal Chemistry Letters 10, no. 10 (May 2000): 1037–41. http://dx.doi.org/10.1016/s0960-894x(00)00156-6.

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14

Aveniente, Mário, Eduardo F. Pinto, Lourivaldo S. Santos, Bartira Rossi-Bergmann, and Lauro E. S. Barata. "Structure–activity relationship of antileishmanials neolignan analogues." Bioorganic & Medicinal Chemistry 15, no. 23 (December 2007): 7337–43. http://dx.doi.org/10.1016/j.bmc.2007.08.016.

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15

Fuchs, James R., Bulbul Pandit, Deepak Bhasin, Jonathan P. Etter, Nicholas Regan, Dalia Abdelhamid, Chenglong Li, Jiayuh Lin, and Pui-Kai Li. "Structure–activity relationship studies of curcumin analogues." Bioorganic & Medicinal Chemistry Letters 19, no. 7 (April 2009): 2065–69. http://dx.doi.org/10.1016/j.bmcl.2009.01.104.

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16

Liu, Si-Yu, and Diane M. Sylvester. "Antiplatelet structure-activity relationship of tetramethylpyrazine." Life Sciences 55, no. 17 (January 1994): 1317–26. http://dx.doi.org/10.1016/0024-3205(94)00764-0.

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17

Ifrah, Dan, Xavier Doisy, Trine S. Ryge, and Paul R. Hansen. "Structure-activity relationship study of anoplin." Journal of Peptide Science 11, no. 2 (2005): 113–21. http://dx.doi.org/10.1002/psc.598.

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18

OHYAMA, Makoto, Yumiko OKADA, Masaaki TAKAHASHI, Osamu SAKANAKA, Maki MATSUMOTO, and Kunio ATSUMI. "Structure-Activity Relationship of Anthelmintic Cyclooctadepsipeptides." Bioscience, Biotechnology, and Biochemistry 75, no. 7 (July 23, 2011): 1354–63. http://dx.doi.org/10.1271/bbb.110129.

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19

Morita, K., I. Kato, T. Uzawa, M. Hori, and T. Noda. "Structure-Activity Relationship of Calcitonin Gene Related Peptide." Hormone and Metabolic Research 21, no. 12 (December 1989): 666–68. http://dx.doi.org/10.1055/s-2007-1009315.

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20

Düren, Reiner, and Horst A. Diehl. "Quantitative structure-activity relationship of coumarin derivatives." Journal of Chromatography A 445 (January 1988): 49–58. http://dx.doi.org/10.1016/s0021-9673(01)84507-6.

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21

Skalkos, Dimitris, James A. Hampton, Rick W. Keck, Miriam Wagoner, and Steven H. Selman. "IMINIUM SALT BENZOCHLORINS: STRUCTURE-ACTIVITY RELATIONSHIP STUDIES." Photochemistry and Photobiology 59, no. 2 (February 1994): 175–81. http://dx.doi.org/10.1111/j.1751-1097.1994.tb05019.x.

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22

Franz, G., and S. Alban. "Structure-activity relationship of antithrombotic polysaccharide derivatives." International Journal of Biological Macromolecules 17, no. 6 (January 1995): 311–14. http://dx.doi.org/10.1016/0141-8130(96)81837-x.

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23

Wang, Hui, Thi Thanh Hien Nguyen, Shujun Li, Tao Liang, Yuanyuan Zhang, and Jian Li. "Quantitative structure–activity relationship of antifungal activity of rosin derivatives." Bioorganic & Medicinal Chemistry Letters 25, no. 2 (January 2015): 347–54. http://dx.doi.org/10.1016/j.bmcl.2014.11.034.

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24

Lin, Ding, Zhongzhong Yan, Aiyu Chen, Jiao Ye, Aixi Hu, Juan Liu, Junmei Peng, and Xiaoyun Wu. "Anti-proliferative activity and structure-activity relationship of honokiol derivatives." Bioorganic & Medicinal Chemistry 27, no. 16 (August 2019): 3729–34. http://dx.doi.org/10.1016/j.bmc.2019.06.042.

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25

Warthen, J. D., W. F. Schmidt, R. E. Doolittle, and R. T. Cunningham. "Structure-activity relationship observations oftrans-trimedlure enantiomers." Journal of Chemical Ecology 21, no. 1 (January 1995): 69–79. http://dx.doi.org/10.1007/bf02033663.

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26

Abiko, T., and H. Sekino. "Relationship of amino acid sequence to immunological activity ? syntheses and structure-activity relationships of thymosin? 4 family." Amino Acids 1, no. 2 (1991): 215–23. http://dx.doi.org/10.1007/bf00806919.

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27

Saroli, Alfred. "Structure ? activity relationship of bitter dipeptide esters." Zeitschrift f�r Lebensmittel-Untersuchung und -Forschung 184, no. 2 (February 1987): 122–24. http://dx.doi.org/10.1007/bf01042085.

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28

Voller, Jiří, Marek Zatloukal, René Lenobel, Karel Doležal, Tibor Béreš, Vladimír Kryštof, Lukáš Spíchal, et al. "Anticancer activity of natural cytokinins: A structure–activity relationship study." Phytochemistry 71, no. 11-12 (August 2010): 1350–59. http://dx.doi.org/10.1016/j.phytochem.2010.04.018.

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29

Ostermann, G., H. P. Kertscher, B. Hofmann, and U. Till. "Structure-activity relationship of 2-o-ethyl-PAF analogues." Prostaglandins 35, no. 5 (May 1988): 844. http://dx.doi.org/10.1016/0090-6980(88)90251-1.

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30

Heymans, F., C. Redeuilh, F. Massicot, B. Wichrowski, E. Favre, B. Spinewyn, N. Blavet, P. Braquet, and J. J. Godfroid. "Tetrahydrofuran derivatives as PAF-acether antagonists - structure-activity relationship." Prostaglandins 35, no. 5 (May 1988): 845. http://dx.doi.org/10.1016/0090-6980(88)90254-7.

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31

Shin, Song, Keun Lee, Yangmee Kim, Jae Kim, Kyung-Soo Hahm, and Shin-Won Kang. "Structure-Antibacterial Activity Relationship of Cecropin A Derivatives." Protein & Peptide Letters 9, no. 6 (December 1, 2002): 487–93. http://dx.doi.org/10.2174/0929866023408373.

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32

CAO, ZHISONG, PANAYOTIS FANTAZIS, JOHN MENDOZA, JANET EARLY, ANTHONY KOZIELSKI, NICK HARRIS, DANA VARDEMAN, JOACHIM LIEHR, JOHN S. STEHLIN, and BEPPINO GIOVANELLA. "Structure-Activity Relationship of Alkyl Camptothecin Esters." Annals of the New York Academy of Sciences 922, no. 1 (January 25, 2006): 122–35. http://dx.doi.org/10.1111/j.1749-6632.2000.tb07031.x.

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33

Teng, Xin, Alexei Degterev, Prakash Jagtap, Xuechao Xing, Sungwoon Choi, Régine Denu, Junying Yuan, and Gregory D. Cuny. "Structure–activity relationship study of novel necroptosis inhibitors." Bioorganic & Medicinal Chemistry Letters 15, no. 22 (November 2005): 5039–44. http://dx.doi.org/10.1016/j.bmcl.2005.07.077.

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34

Zhao, Min, Tomonori Kamada, Aya Takeuchi, Hiromi Nishioka, Teruo Kuroda, and Yasuo Takeuchi. "Structure–activity relationship of indoloquinoline analogs anti-MRSA." Bioorganic & Medicinal Chemistry Letters 25, no. 23 (December 2015): 5551–54. http://dx.doi.org/10.1016/j.bmcl.2015.10.058.

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35

Sablone, Manolo Rocco, Maria Candida Cesta, Alessio Moriconi, Andrea Aramini, Cinzia Bizzarri, Claudia Di Giacinto, Rosa Di Bitondo, et al. "Structure–Activity Relationship of novel phenylacetic CXCR1 inhibitors." Bioorganic & Medicinal Chemistry Letters 19, no. 15 (August 2009): 4026–30. http://dx.doi.org/10.1016/j.bmcl.2009.06.027.

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36

Yamauchi, Satoshi, Saya Kawahara, Tuti Wukirsari, Hisashi Nishiwaki, Kosuke Nishi, Takuya Sugahara, Koichi Akiyama, and Taro Kishida. "Structure–cytotoxic activity relationship of sesquilignan, morinol A." Bioorganic & Medicinal Chemistry Letters 23, no. 17 (September 2013): 4923–30. http://dx.doi.org/10.1016/j.bmcl.2013.06.067.

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37

Hammerland, Lance G., Martin Johansson, Jonas Malmström, Jan P. Mattsson, Alexander B. E. Minidis, Karolina Nilsson, Alecia Peterson, David Wensbo, Andreas Wållberg, and Krister Österlund. "Structure–activity relationship of thiopyrimidines as mGluR5 antagonists." Bioorganic & Medicinal Chemistry Letters 16, no. 9 (May 2006): 2467–69. http://dx.doi.org/10.1016/j.bmcl.2006.01.100.

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38

Worm, Karin, Q. Jean Zhou, Gabriel J. Stabley, Robert N. DeHaven, and Roland E. Dolle. "Biaryl cannabinoid mimetics—Synthesis and structure–activity relationship." Bioorganic & Medicinal Chemistry Letters 17, no. 13 (July 2007): 3652–56. http://dx.doi.org/10.1016/j.bmcl.2007.04.059.

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39

Lee, Juneyoung, and Dong Gun Lee. "Structure-antimicrobial activity relationship between pleurocidin and its enantiomer." Experimental and Molecular Medicine 40, no. 4 (2008): 370. http://dx.doi.org/10.3858/emm.2008.40.4.370.

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40

Gibbs, Summer L., Yang Xie, Haley L. Goodwill, Khaled A. Nasr, Yoshitomo Ashitate, Victoria J. Madigan, Tiberiu M. Siclovan, Maria Zavodszky, Cristina A. Tan Hehir, and John V. Frangioni. "Structure-Activity Relationship of Nerve-Highlighting Fluorophores." PLoS ONE 8, no. 9 (September 9, 2013): e73493. http://dx.doi.org/10.1371/journal.pone.0073493.

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41

Katayama, Hidekazu. "Structure–activity relationship of crustacean peptide hormones." Bioscience, Biotechnology, and Biochemistry 80, no. 4 (December 2015): 633–41. http://dx.doi.org/10.1080/09168451.2015.1116932.

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42

Corrêa, Rogério, Bruna Proiss Fenner, Fátima de Campos Buzzi, Valdir Cechinel Filho, and Ricardo José Nunes. "Antinociceptive Activity and Preliminary Structure-Activity Relationship of Chalcone-Like Compounds." Zeitschrift für Naturforschung C 63, no. 11-12 (December 1, 2008): 830–36. http://dx.doi.org/10.1515/znc-2008-11-1208.

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Abstract Chalcones belong to a class of α,β unsaturated aromatic ketones which occur abundantly in nature, especially in plants. They are promising and interesting compounds due to their vast applications in pharmaceuticals, agriculture and industry. Several studies have shown that these compounds exert important biological activities in different experimental models. The present work deals with the antinociceptive activity, evaluated against the writhing test, of three series of chalcone-like compounds obtained by the Claisen-Schmidt condensation, using different aldehydes and substituted acetophenones. The results reveal that the compounds synthesized show a significant antinociceptive effect compared with nonsteroidal drugs such as aspirin, paracetamol and diclofenac. They also show that the electronic demand of the substituents is the dominant factor of the biological activity.
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43

Batool, Sidra, Nighat Noureen, and Mohammad Amjad Kamal. "Structure Activity Relationship of Venom Toxins Targeting Potassium Channels." Current Drug Metabolism 19, no. 8 (July 20, 2018): 714–20. http://dx.doi.org/10.2174/1389200219666171227205009.

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44

Turabekova, Malakhat A., Valentina I. Vinogradova, Karl A. Werbovetz, Jeffrey Capers, Bakhtiyor F. Rasulev, Mikhail G. Levkovich, Shukhrat B. Rakhimov, and Nasrulla D. Abdullaev. "Structure-Activity Relationship Investigations Of Leishmanicidal N-Benzylcytisine Derivatives." Chemical Biology & Drug Design 78, no. 1 (May 25, 2011): 183–89. http://dx.doi.org/10.1111/j.1747-0285.2011.01092.x.

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45

Powers, Jon-Paul S., and Robert E. W. Hancock. "The relationship between peptide structure and antibacterial activity." Peptides 24, no. 11 (November 2003): 1681–91. http://dx.doi.org/10.1016/j.peptides.2003.08.023.

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46

Goodman, Murray, and Piero Andrea Temussi. "Structure-activity relationship of a bitter diketopiperazine revisited." Biopolymers 24, no. 8 (August 1985): 1629–33. http://dx.doi.org/10.1002/bip.360240815.

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47

Chang, Hyun-Joo, Hyun Jung Kim, and Hyang Sook Chun. "Quantitative structure−activity relationship (QSAR) for neuroprotective activity of terpenoids." Life Sciences 80, no. 9 (February 2007): 835–41. http://dx.doi.org/10.1016/j.lfs.2006.11.009.

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48

KAWAHARA, Saya, Ipei IWATA, Eriko FUJITA, Manami YAMAWAKI, Hisashi NISHIWAKI, Takuya SUGAHARA, Satoshi YAMAUCHI, Koichi AKIYAMA, and Taro KISHIDA. "IgE-Suppressive Activity of (−)-Matairesinol and Its Structure-Activity Relationship." Bioscience, Biotechnology, and Biochemistry 74, no. 9 (September 23, 2010): 1878–83. http://dx.doi.org/10.1271/bbb.100275.

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49

Berdel, W. E., D. D. Hoff, C. Unger, H. D. Schick, U. Fink, A. Reichert, H. Eibl, and J. Rastetter. "Ether lipid derivatives: Antineoplastic activity in vitro and the structure-activity relationship." Lipids 21, no. 5 (May 1986): 368. http://dx.doi.org/10.1007/bf02535704.

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50

Berdel, Wolfgang E., Daniel D. Von Hoff, Clemens Unger, Hans D. Schick, Ulrich Fink, Anneliese Reichert, Hansjorg Eibl, and Johann Rastetter. "Ether lipid derivatives: Antineoplastic activity in vitro and the structure-activity relationship." Lipids 21, no. 4 (April 1986): 301–4. http://dx.doi.org/10.1007/bf02536417.

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