{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,31]],"date-time":"2026-01-31T02:11:24Z","timestamp":1769825484523,"version":"3.49.0"},"reference-count":60,"publisher":"Springer Science and Business Media LLC","issue":"10","license":[{"start":{"date-parts":[[2002,10,1]],"date-time":"2002-10-01T00:00:00Z","timestamp":1033430400000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"},{"start":{"date-parts":[[2002,10,1]],"date-time":"2002-10-01T00:00:00Z","timestamp":1033430400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Comput Aided Mol Des"],"published-print":{"date-parts":[[2002,10]]},"DOI":"10.1023\/a:1022488507391","type":"journal-article","created":{"date-parts":[[2003,3,28]],"date-time":"2003-03-28T22:56:51Z","timestamp":1048892211000},"page":"683-709","source":"Crossref","is-referenced-by-count":15,"title":["Structure-based QSAR study on differential inhibition of human prostaglandin endoperoxide H synthase-2 (COX-2) by nonsteroidal anti-inflammatory drugs"],"prefix":"10.1007","volume":"16","author":[{"given":"R.","family":"Pouplana","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"J.J.","family":"Lozano","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"C.","family":"P\u00e9rez","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"J.","family":"Ruiz","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","reference":[{"key":"5113895_CR1","first-page":"209","volume-title":"Prostaglandin and Related Substances: A Practical Approach","author":"R.J. Kulmacz","year":"1987","unstructured":"Kulmacz, R.J. and Lands, W.E.M., In Prostaglandin and Related Substances: A Practical Approach (Benedetto, C., Mc Donald Gibson, R.G., Nigam, S. and Slater, T.F., eds) (1987), 209\u2013227, IRL Press, Washington, D.C."},{"key":"5113895_CR2","first-page":"153","volume-title":"Pharmac. Ther.","author":"W.L. Smith","year":"1991","unstructured":"Smith, W.L., Marnett, L.J. and D.L. DeWitt, Prostaglandin and thromboxanes biosynthesis. In: Pharmac. Ther. Vol. 49 (1991) 153\u2013179, Taylor, C.W. (ed). Pergamon Press. London."},{"key":"5113895_CR3","first-page":"833","volume":"40","author":"R.J. Kulmacz","year":"1991","unstructured":"Kulmacz, R.J., Palmer, G. and Ah-Lim Tsai., Mol. Pharm. 40 (1991) 833.","journal-title":"Mol. Pharm."},{"key":"5113895_CR4","doi-asserted-by":"crossref","first-page":"10503","DOI":"10.1074\/jbc.270.18.10503","volume":"270","author":"T. Ah-Lim","year":"1995","unstructured":"Ah-Lim Tsai, Kulmacz, R.J. and Palmer, G., J. Biol. Chem. 270 (1995) 10503.","journal-title":"J. Biol. Chem."},{"key":"5113895_CR5","doi-asserted-by":"crossref","first-page":"97","DOI":"10.1146\/annurev.pharmtox.38.1.97","volume":"38","author":"J.R. Vane","year":"1998","unstructured":"Vane, J.R., Bakhle, Y.S. and Botting, R.M.. Annu. Rev. Pharmacol. Toxicol., 38 (1998) 97.","journal-title":"Annu. Rev. Pharmacol. Toxicol."},{"key":"5113895_CR6","doi-asserted-by":"crossref","first-page":"13207","DOI":"10.1016\/S0021-9258(17)36820-5","volume":"269","author":"M. Lecomte","year":"1994","unstructured":"Lecomte, M., Laneuville, O., Chuan Ji, DeWitt, D.L. and Smith, W.L., J. Biol. Chem. 269 (1994) 13207.","journal-title":"J. Biol. Chem."},{"key":"5113895_CR7","doi-asserted-by":"crossref","first-page":"130","DOI":"10.1016\/0167-4838(94)90148-1","volume":"1209","author":"J. Barnett","year":"1994","unstructured":"Barnett, J., Chow, J., Ives, D., Chiou, M., Mackenzie, R., Osen, E., Nguyen, B., Tsing, S., Bach, C., Freire, J., Chan, H., Sigal, E. and Ramesha, C., Biochim. Biophys. Acta., 1209 (1994) 130.","journal-title":"Biochim. Biophys. Acta."},{"key":"5113895_CR8","doi-asserted-by":"crossref","first-page":"156","DOI":"10.1002\/jcb.240501330","volume":"161","author":"D.L. Earnest","year":"1992","unstructured":"Earnest, D.L., Hixson, L.J. and Alberts, D.S., J. Cell. Biochem. Suppl. 161 (1992) 156.","journal-title":"J. Cell. Biochem. Suppl."},{"key":"5113895_CR9","first-page":"2556","volume":"55","author":"S.L. Kargman","year":"1995","unstructured":"Kargman, S.L., O'Neill, G.P., Vickers, P.J., Evans, J.F., Mancini, J.A. and Jothy, S., Cancer Res. 55 (1995) 2556.","journal-title":"Cancer Res."},{"key":"5113895_CR10","doi-asserted-by":"crossref","first-page":"625","DOI":"10.1016\/S0026-895X(24)23023-6","volume":"55","author":"D.L. DeWitt","year":"1999","unstructured":"DeWitt, D.L., Mol. Pharm., 55 (1999) 625.","journal-title":"Mol. Pharm."},{"key":"5113895_CR11","doi-asserted-by":"crossref","first-page":"607","DOI":"10.1042\/bj3390607","volume":"339","author":"J.K. Gierse","year":"1999","unstructured":"Gierse, J.K., Koboldt, C., Walker, M.C., Seibert, K and Isakson, P.C., Biochem. J., 339 (1999) 607.","journal-title":"Biochem. J."},{"key":"5113895_CR12","first-page":"65","volume-title":"Anti-Inflammatory and Anti-Rheumatic Drugs","author":"A. Scherrer","year":"1985","unstructured":"Scherrer, A., Fenamic Acids. In: Anti-Inflammatory and Anti-Rheumatic Drugs. Vol. 2 (1985). 65\u201385, K.D. Rainsford and M.R.C. Path (eds.) CRC Press, Inc. Florida, USA."},{"key":"5113895_CR13","doi-asserted-by":"crossref","first-page":"560","DOI":"10.1007\/978-94-011-1472-1_157","volume-title":"Trends in QSAR and Molecular Modelling'92","author":"J.J. Lozano","year":"1993","unstructured":"Lozano, J.J., L\u00f3pez, M., Ruiz, J., Vazquez, I.J. and Pouplana, R., QSAR in the nonsteroidal antiinflammatory agents: The fenamic acids. In Trends in QSAR and Molecular Modelling'92. (1993), 560\u2013562. C.G. Wermuth (ed). ESCOM, Leiden."},{"key":"5113895_CR14","doi-asserted-by":"crossref","first-page":"247","DOI":"10.1042\/bj3060247","volume":"306","author":"M. Ouellet","year":"1995","unstructured":"Ouellet, M. and Percival, D., Biochem. J., 306 (1995) 247.","journal-title":"Biochem. J."},{"key":"5113895_CR15","doi-asserted-by":"crossref","first-page":"2179","DOI":"10.1074\/jbc.271.4.2179","volume":"271","author":"D.K. Bhattacharyya","year":"1996","unstructured":"Bhattacharyya, D.K., Lecomte, M., Rieke, C.J., Garavito, M.R. and Smith, W.L., J. Biol. Chem., 271 (1996) 2179.","journal-title":"J. Biol. Chem."},{"key":"5113895_CR16","doi-asserted-by":"crossref","first-page":"243","DOI":"10.1038\/367243a0","volume":"367","author":"D. Picot","year":"1994","unstructured":"Picot, D., Loll, P.J. and Garavito, R.M., Nature, 367 (1994) 243.","journal-title":"Nature"},{"key":"5113895_CR17","doi-asserted-by":"crossref","first-page":"637","DOI":"10.1038\/nsb0895-637","volume":"2","author":"P.J. Loll","year":"1995","unstructured":"Loll, P.J., Picot, D. and Garavito, R.M., Nature Struc. Bio., 2 (1995) 637.","journal-title":"Nature Struc. Bio."},{"key":"5113895_CR18","doi-asserted-by":"crossref","first-page":"7330","DOI":"10.1021\/bi952776w","volume":"35","author":"P.J. Loll","year":"1996","unstructured":"Loll, P.J., Picot, D., Ekabo, O. and Garavito, R.M., Biochemistry, 35 (1996) 7330.","journal-title":"Biochemistry"},{"key":"5113895_CR19","doi-asserted-by":"crossref","first-page":"297","DOI":"10.1023\/A:1008094616324","volume":"13","author":"R. Pouplana","year":"1999","unstructured":"Pouplana, R., P\u00e9rez, C., S\u00e1nchez, J., Lozano, J.J. and Puig-Parellada, P., J. Comput.-Aided Mol. Design., 13 (1999) 297.","journal-title":"Comput.-Aided Mol. Design."},{"key":"5113895_CR20","doi-asserted-by":"crossref","first-page":"59","DOI":"10.1016\/S0166-1280(96)04983-4","volume":"397","author":"J.J. Lozano","year":"1997","unstructured":"Lozano, J.J., Pouplana, R. and Ruiz, J., J. Mol. Struc., (Theochem), 397 (1997) 59.","journal-title":"J. Mol. Struc., (Theochem)"},{"key":"5113895_CR21","doi-asserted-by":"crossref","first-page":"5801","DOI":"10.1074\/jbc.273.10.5801","volume":"273","author":"O. So","year":"1998","unstructured":"So, O., Scarafia, L.E., Mak, A.Y., Callan, O.H. and Swinney, D.C., J. Biol. Chem., 273 (1998) 5801.","journal-title":"J. Biol. Chem."},{"key":"5113895_CR22","doi-asserted-by":"crossref","first-page":"5172","DOI":"10.1021\/bi010045s","volume":"40","author":"B.S. Selinsky","year":"2001","unstructured":"Selinsky, B.S., Gupta, K., Sharley, C.T. and Loll, P.J., Biochem. 40 (2001) 5172.","journal-title":"Biochem."},{"key":"5113895_CR23","doi-asserted-by":"crossref","first-page":"2280","DOI":"10.1021\/jm9906217","volume":"43","author":"A. Palomer","year":"2000","unstructured":"Palomer, A., P\u00e9rez, J.J., Navea, S., Lorens, O., Pascual, J., Garc\u00eda, L. and Maule\u00f3n D., J. Med. Chem., 43 (2000) 2280.","journal-title":"J. Med. Chem."},{"key":"5113895_CR24","doi-asserted-by":"crossref","first-page":"52","DOI":"10.1124\/mol.51.1.52","volume":"51","author":"J.A. Mancini","year":"1997","unstructured":"Mancini, J.A., Vickers, P.J., O'Neill, G.P., Boily, C., Falgueyret, J., and Riendeau, D., Mol. Pharm., 51 (1997) 52.","journal-title":"Mol. Pharm."},{"key":"5113895_CR25","doi-asserted-by":"crossref","first-page":"644","DOI":"10.1038\/384644a0","volume":"384","author":"R.G. Kurumbail","year":"1996","unstructured":"Kurumbail, R.G., Stevens, A.M., Gierse, J.K., McDonald, J.J., Stegeman, R.A., Pak, J.Y., Gildehaus, D., Miyashiro, J.M., Penning, T.D., Seibert, K., Isakson, P.C. and Stallings, W.C., Nature, 384 (1996) 644.","journal-title":"Nature"},{"key":"5113895_CR26","doi-asserted-by":"crossref","first-page":"6228","DOI":"10.1021\/bi992761o","volume":"39","author":"C.A. Lanzo","year":"2000","unstructured":"Lanzo, C.A., Sutin, J., Rowlinson, S., Talley, J. and Marnett, L.J., Biochem., 39 (2000) 6228.","journal-title":"Biochem."},{"key":"5113895_CR27","doi-asserted-by":"crossref","first-page":"329","DOI":"10.1016\/S1093-3263(01)00133-4","volume":"20","author":"R. Pouplana","year":"2002","unstructured":"Pouplana, R., Lozano, J.J. and Ruiz, J., J. Mol. Graph. Mod., 20 (2002) 329.","journal-title":"J. Mol. Graph. Mod."},{"key":"5113895_CR28","unstructured":"Biosym\/MSI. Accelrys 9685 Scranton Road San Diego, USA."},{"key":"5113895_CR29","doi-asserted-by":"crossref","first-page":"215","DOI":"10.1016\/0166-1280(94)04003-B","volume":"335","author":"J.J. Lozano","year":"1995","unstructured":"Lozano, J.J., Pouplana, R., L\u00f3pez, M. and Ruiz, J., J. Mol. Struc. (Theochem), 335 (1995) 215.","journal-title":"J. Mol. Struc. (Theochem)"},{"key":"5113895_CR30","doi-asserted-by":"crossref","first-page":"2358","DOI":"10.1021\/jm00171a008","volume":"33","author":"P. Moser","year":"1990","unstructured":"Moser P., Sallmann A. and Wiesenberg I., J. Med. Chem., 33 (1990), 2358.","journal-title":"J. Med. Chem."},{"key":"5113895_CR31","doi-asserted-by":"crossref","first-page":"406","DOI":"10.1107\/S0108768188001107","volume":"B44","author":"V. Dhanaraj","year":"1988","unstructured":"Dhanaraj, V. and Vijayan, M., Acta Cryst., B44 (1988) 406.","journal-title":"Acta Cryst."},{"key":"5113895_CR32","doi-asserted-by":"crossref","first-page":"183","DOI":"10.1007\/BF00126444","volume":"7","author":"J. Ruiz","year":"1993","unstructured":"Ruiz, J., L\u00f3pez, M., Mil\u00e0, J., Lozoya, E., Lozano, J.J. and Pouplana, R., J. Comput.-Aided Mol. Design, 7 (1993) 183.","journal-title":"J. Comput.-Aided Mol. Design"},{"key":"5113895_CR33","unstructured":"Frisch, M.J., Head-Gordon, M., Trucks, G.W., Foresman, J.B., Schlegel H.B., Gill, P.M., Johnson, B.J., Robb, M.A., Cheesemann, J.R., Keith, T.A., Petersson, G.A., Montgomery, J.A., Raghavachari K., Al-Laham, M.A., Zakrzewski, V.G., Ortiz, J.V., Cioslowski, J., Stefanov, B.B., Nanayakkara, A., Challacombe, M., Binkley, J.S., Peng, C.Y., Ayala, P.Y., Chen, W., Wong, M.W., Andres, J.L., Gonzalez C., Replogle, E.S., Gomperts, R., Defrees, D.J., Fox, D.J., Baker J., Martin, R.L., Stewart, J.P. and Pople, J.A., Gaussian 94, Revision A.1. Gaussian Inc., Pittsburgh, PA, 1995."},{"key":"5113895_CR34","unstructured":"Case, D.A., Pearlman, D.A., Caldwell, J.C., Cheatham, T.E., Ross, W.S., Simmerling, C., Darden, T., Merz, K.M., Stanton, R.V., Cheng, A., Vincent, J.J., Crowley, M., Fergusson, D.M., Radmer, R., Seibel, G.L., Singh, U.C., Weiner, P., Kollman P.A., AMBER5; University of California, San Francisco, (1997)."},{"key":"5113895_CR35","volume-title":"AutoDock: Automated Docking of Flexible Ligands to Receptors","author":"G.M. Morris","year":"1998","unstructured":"AutoDock: Automated Docking of Flexible Ligands to Receptors. Version 3.0 (1998). Morris, G.M., Goodsell, D.S., Halliday, R.S., Huey, R., Hart, W.E., Belew, R.K. and Olson, A.J. The Scripps Research Institute. La Jolla. CA.","edition":"Version 3.0"},{"key":"5113895_CR36","doi-asserted-by":"crossref","first-page":"1639","DOI":"10.1002\/(SICI)1096-987X(19981115)19:14<1639::AID-JCC10>3.0.CO;2-B","volume":"19","author":"G.M. Morris","year":"1998","unstructured":"Morris, G.M., Goodsell, D.S., Halliday, R.S., Huey, R., Hart, W.E., Belew, R.K. and Olson, A.J., J. Comp. Chem., 19 (1998) 1639.","journal-title":"J. Comp. Chem."},{"key":"5113895_CR37","doi-asserted-by":"crossref","unstructured":"Goodford, P.J, J. Med. Chem., (1985) 849.","DOI":"10.1021\/jm00145a002"},{"key":"5113895_CR38","unstructured":"GRIN, GRID, GRAB and GROUP version 16.0. Molecular Discovery Ltd., (1998)."},{"key":"5113895_CR39","doi-asserted-by":"crossref","first-page":"4089","DOI":"10.1021\/jm970273d","volume":"40","author":"M. Pastor","year":"1997","unstructured":"Pastor, M., Cruciani, G. and Watson, K.A., J. Med. Chem., 40 (1997) 4089.","journal-title":"J. Med. Chem."},{"key":"5113895_CR40","doi-asserted-by":"crossref","first-page":"5272","DOI":"10.1021\/jm9804174","volume":"41","author":"R.H. Smith","year":"1998","unstructured":"Smith, R.H., Jorgensen, W.L., Tirado-Rives, J., Lamb, M.L., Janssen, P.A., Michejda, C.J., Kroeger Smith M.B., J. Med. Chem., 41 (1998) 5272.","journal-title":"J. Med. Chem."},{"key":"5113895_CR41","doi-asserted-by":"crossref","first-page":"27","DOI":"10.1023\/A:1007930623000","volume":"12","author":"T. Hansson","year":"1998","unstructured":"Hansson, T., Marelius, J., Aqvist, J., J. Comput.-Aided Mol. Design., 12 (1998) 27.","journal-title":"J. Comput.-Aided Mol. Design."},{"key":"5113895_CR42","doi-asserted-by":"crossref","first-page":"2681","DOI":"10.1021\/jm00014a020","volume":"36","author":"A.R. Ortiz","year":"1995","unstructured":"Ortiz, A.R., Pisabarro M.T., Gago, F. and Wade, R.C., J. Med. Chem., 36 (1995) 2681.","journal-title":"J. Med. Chem."},{"key":"5113895_CR43","doi-asserted-by":"crossref","first-page":"1136","DOI":"10.1021\/jm9601617","volume":"40","author":"A.R. Ortiz","year":"1997","unstructured":"Ortiz, A.R., Pastor, M., Palomer, A., Cruciani, G., Gago, F. and Wade, R.C., J. Med. Chem., 40 (1997) 1136.","journal-title":"J. Med. Chem."},{"key":"5113895_CR44","doi-asserted-by":"crossref","first-page":"37","DOI":"10.1007\/BF00125507","volume":"7","author":"F. Sanz","year":"1993","unstructured":"Sanz, F., Manaut, F., Rodriguez, J., Lozoya, E. and L\u00f3pez de Bri\u00f1as, E., J. Comput.-Aided. Mol. Des., 7 (1993) 37.","journal-title":"J. Comput.-Aided. Mol. Des."},{"key":"5113895_CR45","doi-asserted-by":"crossref","first-page":"11927","DOI":"10.1038\/nsb1196-927","volume":"3","author":"C. Luong","year":"1996","unstructured":"Luong, C., Miller, A., Barnett, J., Chow, J., Ramesha, C. and Browner, M.F., Nat. Struct. Biol., 3 (1996) 11927.","journal-title":"Nat. Struct. Biol."},{"key":"5113895_CR46","doi-asserted-by":"crossref","first-page":"17109","DOI":"10.1074\/jbc.274.24.17109","volume":"274","author":"C.J. Rieke","year":"1999","unstructured":"Rieke, C.J., Mulichak, A. M., Garavito, R.M. and Smith W.L., J. Biol. Chem., 274 (1999) 17109.","journal-title":"J. Biol. Chem."},{"key":"5113895_CR47","doi-asserted-by":"crossref","first-page":"829","DOI":"10.1124\/mol.52.5.829","volume":"52","author":"G.M. Greig","year":"1997","unstructured":"Greig, G.M., Francis, D.A., Falgueyret, J.P., Ouellet, M.M., Percival, M.D., Roy, P., Bayly, C., Mancini, J.A. and O'Neill G.P., Mol. Pharm., 52 (1997) 829.","journal-title":"Mol. Pharm."},{"key":"5113895_CR48","doi-asserted-by":"crossref","first-page":"479","DOI":"10.1042\/bj3050479","volume":"305","author":"J.K. Gierse","year":"1995","unstructured":"Gierse, J.K., Hauser, S.D., Creeley, D. P., Koboldt, C., Rangwala, S. H., Isakson, P.C. and Seibert, K., Biochem. J., 305 (1995) 479.","journal-title":"Biochem. J."},{"key":"5113895_CR49","doi-asserted-by":"crossref","first-page":"19134","DOI":"10.1074\/jbc.271.32.19134","volume":"271","author":"Q. Guo","year":"1996","unstructured":"Guo, Q., Wang, L., Ruan, K. and Kulmacz, J., J. Biol. Chem., 271 (1996) 19134.","journal-title":"J. Biol. Chem."},{"key":"5113895_CR50","doi-asserted-by":"crossref","first-page":"9280","DOI":"10.1074\/jbc.272.14.9280","volume":"272","author":"E. Wong","year":"1997","unstructured":"Wong, E., Bayly, C., Waterman, H.L., Riendeau, D. and Mancini, J.A., J. Biol. Chem., 272 (1997) 9280.","journal-title":"J. Biol. Chem."},{"key":"5113895_CR51","doi-asserted-by":"crossref","first-page":"1777","DOI":"10.1016\/S0006-2952(96)00599-0","volume":"52","author":"W.A. Cromlish","year":"1996","unstructured":"Cromlish, W.A. and Kennedy, B.P., Biochem. Pharmacol., 52 (1996) 1777.","journal-title":"Biochem. Pharmacol."},{"key":"5113895_CR52","doi-asserted-by":"crossref","first-page":"40407","DOI":"10.1074\/jbc.M005563200","volume":"275","author":"T. Smith","year":"2000","unstructured":"Smith T., McCracken J., Kyun Shin, Yeon. and DeWitt D., J. Biol. Chem., 275 (2000) 40407.","journal-title":"J. Biol. Chem."},{"key":"5113895_CR53","doi-asserted-by":"crossref","first-page":"127","DOI":"10.1002\/1521-3838(200004)19:2<127::AID-QSAR127>3.0.CO;2-P","volume":"19","author":"C. Marot","year":"2000","unstructured":"Marot, C., Chavatte, P. and Lesieur, D., Quant. Struct. Act. Relat., 19 (2000) 127.","journal-title":"Quant. Struct. Act. Relat."},{"key":"5113895_CR54","doi-asserted-by":"crossref","first-page":"15810","DOI":"10.1074\/jbc.271.26.15810","volume":"271","author":"J.K. Gierse","year":"1996","unstructured":"Gierse, J.K., McDonald, J.J., Hauser, Koboldt, C., Rangwala, S.H., and Seibert, K., J. Biol. Chem., 271 (1996) 15810.","journal-title":"J. Biol. Chem."},{"key":"5113895_CR55","doi-asserted-by":"crossref","first-page":"27608","DOI":"10.1074\/jbc.M003982200","volume":"275","author":"B. Bambai","year":"2000","unstructured":"Bambai, B. and Kulmacz, R.J., J. Biol. Chem., 275 (2000) 27608.","journal-title":"J. Biol. Chem."},{"key":"5113895_CR56","doi-asserted-by":"crossref","first-page":"533","DOI":"10.1016\/S0960-894X(01)00800-9","volume":"12","author":"A. Palomer","year":"2002","unstructured":"Palomer, A., Pascual, J., Cabr\u00e9, M., Borr\u00e1s, L., Gonz\u00e1lez, G., Aparici, M., Carabaza, M., Cabr\u00e9, F., Garcia, M.L. and Maule\u00f3n, D., Bioorg. Med. Chem. Lett., 12 (2002) 533.","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"5113895_CR57","doi-asserted-by":"crossref","first-page":"4582","DOI":"10.1021\/jm990965x","volume":"43","author":"B. Portevin","year":"2000","unstructured":"Portevin, B., Tordjman, Pastoureau, Ph., Bonnet, J. and Nanteuil, G., J. Med. Chem., 43 (2000) 4582.","journal-title":"J. Med. Chem."},{"key":"5113895_CR58","doi-asserted-by":"crossref","first-page":"211","DOI":"10.1002\/cem.1180020306","volume":"2","author":"A. H\u00f6skuldsson","year":"1988","unstructured":"H\u00f6skuldsson, A., PLS regression methods, J. Chemometrics, 2 (1988) 211.","journal-title":"J. Chemometrics"},{"key":"5113895_CR59","doi-asserted-by":"crossref","first-page":"9455","DOI":"10.1021\/ja001018c","volume":"122","author":"L. Melissa","year":"2000","unstructured":"Melissa, L., Plount Price and Jorgensen, W.L., J. Am. Chem. Soc., 122 (2000) 9455.","journal-title":"J. Am. Chem. Soc."},{"key":"5113895_CR60","doi-asserted-by":"crossref","first-page":"277","DOI":"10.1023\/A:1008180108753","volume":"14","author":"E. Filipponi","year":"2000","unstructured":"Filipponi, E., Cecchetti, V., Tabarrini, O., Bonelli, D. and Fravolini, A., J. Comput.-Aided Mol. Des., 14 (2000) 277.","journal-title":"J. Comput.-Aided Mol. Des."}],"container-title":["Journal of Computer-Aided Molecular Design"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1023\/A:1022488507391.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/article\/10.1023\/A:1022488507391\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1023\/A:1022488507391.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,6,6]],"date-time":"2025-06-06T08:35:12Z","timestamp":1749198912000},"score":1,"resource":{"primary":{"URL":"https:\/\/link.springer.com\/10.1023\/A:1022488507391"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2002,10]]},"references-count":60,"journal-issue":{"issue":"10","published-print":{"date-parts":[[2002,10]]}},"alternative-id":["5113895"],"URL":"https:\/\/doi.org\/10.1023\/a:1022488507391","relation":{},"ISSN":["0920-654X","1573-4951"],"issn-type":[{"value":"0920-654X","type":"print"},{"value":"1573-4951","type":"electronic"}],"subject":[],"published":{"date-parts":[[2002,10]]}}}