{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,6,6]],"date-time":"2025-06-06T04:06:55Z","timestamp":1749182815473,"version":"3.41.0"},"reference-count":37,"publisher":"Springer Science and Business Media LLC","issue":"3","license":[{"start":{"date-parts":[[2000,4,1]],"date-time":"2000-04-01T00:00:00Z","timestamp":954547200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"},{"start":{"date-parts":[[2000,4,1]],"date-time":"2000-04-01T00:00:00Z","timestamp":954547200000},"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":[[2000,4]]},"DOI":"10.1023\/a:1008142124682","type":"journal-article","created":{"date-parts":[[2002,12,22]],"date-time":"2002-12-22T13:17:47Z","timestamp":1040563067000},"page":"293-306","source":"Crossref","is-referenced-by-count":19,"title":["Global 3D-QSAR methods: MS-WHIM and autocorrelation"],"prefix":"10.1007","volume":"14","author":[{"given":"Emanuela","family":"Gancia","sequence":"first","affiliation":[]},{"given":"Gianpaolo","family":"Bravi","sequence":"additional","affiliation":[]},{"given":"Paolo","family":"Mascagni","sequence":"additional","affiliation":[]},{"given":"Andrea","family":"Zaliani","sequence":"additional","affiliation":[]}],"member":"297","reference":[{"key":"253222_CR1","first-page":"61","volume-title":"Encyclopedia of Computer Science and Technology, Vol. 33, suppl. 18","author":"B. I. Boyd","year":"1995","unstructured":"Boyd, B.D., In Kent, A. and Williams, J.G. (Eds.) Encyclopedia of Computer Science and Technology, Vol. 33, suppl. 18, Marcel Dekker, New York, NY, 1995, p. 61."},{"volume-title":"Methods and Principles on Medicinal Chemistry, Vol. 1","year":"1993","key":"253222_CR2","unstructured":"Manhold, R., Krogsgaard-Larsen, P. and Timmermans, H. (Eds.) Methods and Principles on Medicinal Chemistry, Vol. 1, VCH publishers, Weinheim, 1993."},{"key":"253222_CR3","doi-asserted-by":"crossref","first-page":"5959","DOI":"10.1021\/ja00226a005","volume":"110","author":"R.D. Cramer III","year":"1988","unstructured":"Cramer, R.D., III, Patterson, D.E. and Bunce, J.D., J. Am. Chem. Soc., 110 (1988) 5959.","journal-title":"J. Am. Chem. Soc."},{"key":"253222_CR4","doi-asserted-by":"crossref","first-page":"41","DOI":"10.1007\/BF00124348","volume":"8","author":"D.J. Abraham","year":"1994","unstructured":"Abraham, D.J. and Kellogg, G.E., J. Comput.-Aided Mol. Design, 8 (1994) 41.","journal-title":"J. Comput.-Aided Mol. Design"},{"key":"253222_CR5","doi-asserted-by":"crossref","first-page":"507","DOI":"10.1002\/qsar.19950140603","volume":"14","author":"A. Poso","year":"1995","unstructured":"Poso, A., Juvonen, R. and Gynther, J., Quant. Struct.-Act. Relat., 14 (1995) 507.","journal-title":"Quant. Struct.-Act. Relat."},{"key":"253222_CR6","doi-asserted-by":"crossref","first-page":"513","DOI":"10.1007\/BF00134175","volume":"10","author":"G.E. Kellogg","year":"1996","unstructured":"Kellogg, G.E., Kier, L.B., Gaillard, P. and Hall, L.H., J. Comput.-Aided Mol. Design, 10 (1996) 513.","journal-title":"J. Comput.-Aided Mol. Design"},{"key":"253222_CR7","doi-asserted-by":"crossref","first-page":"433","DOI":"10.1021\/jm00056a002","volume":"36","author":"A.C. Good","year":"1993","unstructured":"Good, A.C., So, S. and Richards, W.G., J. Med. Chem., 36 (1993) 433.","journal-title":"J. Med. Chem."},{"key":"253222_CR8","doi-asserted-by":"crossref","first-page":"2315","DOI":"10.1021\/jm00041a010","volume":"37","author":"N.A. Jain","year":"1994","unstructured":"Jain, N.A., Koile, K. and Chapman, D., J. Med. Chem., 37 (1994) 2315.","journal-title":"J. Med. Chem."},{"key":"253222_CR9","unstructured":"Molecular Simulations Inc., Cerius2 3.0 QSAR manual, 1997, p. 92."},{"key":"253222_CR10","doi-asserted-by":"crossref","first-page":"2129","DOI":"10.1021\/jm950589q","volume":"39","author":"B.D. Silverman","year":"1996","unstructured":"Silverman, B.D. and Platt, D.E., J. Med. Chem., 39 (1996) 2129.","journal-title":"J. Med. Chem."},{"key":"253222_CR11","doi-asserted-by":"crossref","first-page":"220","DOI":"10.1007\/978-94-011-1472-1_34","volume-title":"Trends in QSAR and Molecular Modelling 92","author":"J. Bradshaw","year":"1993","unstructured":"Bradshaw, J., Wynn, E.W., Salt, D.W. and Ford, M.G., In Wermuth, C.G. (Ed.) Trends in QSAR and Molecular Modelling 92, ESCOM, Leiden, 1993, pp. 220\u2013224."},{"key":"253222_CR12","first-page":"66","volume":"19","author":"P. Broto","year":"1984","unstructured":"Broto, P., Moreau, G. and Vandycke C., Eur. J. Med. Chem.-Chim. Ther., 19 (1984) 66.","journal-title":"Eur. J. Med. Chem.-Chim. Ther."},{"key":"253222_CR13","first-page":"5","volume":"3","author":"S. Clementi","year":"1993","unstructured":"Clementi, S., Cruciani, G., Riganelli, D., Valigi, R., Costantino, G., Baroni, M. and Wold, S., Pharm. Pharmacol. Lett., 3 (1993) 5.","journal-title":"Pharm. Pharmacol. Lett."},{"key":"253222_CR14","doi-asserted-by":"crossref","first-page":"263","DOI":"10.1002\/cem.1180080405","volume":"8","author":"R. Todeschini","year":"1994","unstructured":"Todeschini, R., Lasagni. M. and Marengo, E., J. Chemometrics, 8 (1994) 263.","journal-title":"J. Chemometrics"},{"key":"253222_CR15","doi-asserted-by":"crossref","first-page":"221","DOI":"10.1016\/0169-7439(95)80026-6","volume":"27","author":"R. Todeschini","year":"1995","unstructured":"Todeschini, R., Gramatica, P., Provenzani, R. and Marengo, E., Chemometrics Intell. Lab. Syst., 27 (1995) 221.","journal-title":"Chemometrics Intell. Lab. Syst."},{"key":"253222_CR16","doi-asserted-by":"crossref","first-page":"1527","DOI":"10.1016\/0045-6535(96)00060-4","volume":"8","author":"R. Todeschini","year":"1996","unstructured":"Todeschini, R., Vighi, M., Provenzani, R., Finizio, A. and Gramatica, P., Chemosphere, 8 (1996) 1527.","journal-title":"Chemosphere"},{"key":"253222_CR17","doi-asserted-by":"crossref","first-page":"79","DOI":"10.1023\/A:1008079512289","volume":"11","author":"G. Bravi","year":"1997","unstructured":"Bravi, G., Gancia, E., Mascagni, P., Pegna, M., Todeschini, R. and Zaliani, A., J. Comput.-Aided Mol. Design, 11 (1997) 79.","journal-title":"J. Comput.-Aided Mol. Design"},{"key":"253222_CR18","first-page":"75","volume":"1","author":"M. Connolly","year":"1981","unstructured":"Connolly, M., QCPE Bull., 1 (1981) 75.","journal-title":"QCPE Bull."},{"key":"253222_CR19","doi-asserted-by":"crossref","first-page":"3754","DOI":"10.1073\/pnas.79.12.3754","volume":"79","author":"P. Weiner","year":"1982","unstructured":"Weiner, P., Langridge, R., Blaney, J.M., Schefer, R. and Kollman, P.A., Proc. Natl. Acad. Sci. USA, 79 (1982) 3754.","journal-title":"Proc. Natl. Acad. Sci. USA"},{"key":"253222_CR20","doi-asserted-by":"crossref","first-page":"4065","DOI":"10.1021\/jm960058h","volume":"39","author":"S. Gibson","year":"1996","unstructured":"Gibson, S., McGuire R. and Rees, D., J. Med. Chem., 39 (1996) 4065.","journal-title":"J. Med. Chem."},{"key":"253222_CR21","doi-asserted-by":"crossref","first-page":"659","DOI":"10.1021\/jm00004a012","volume":"38","author":"S.R. Krysteck","year":"1995","unstructured":"Krysteck, S.R., Hunt, J.T., Stein, P.D. and Stouch, T.R., J. Med. Chem., 38 (1995) 659.","journal-title":"J. Med. Chem."},{"key":"253222_CR22","doi-asserted-by":"crossref","first-page":"7769","DOI":"10.1021\/ja00134a023","volume":"117","author":"M. Wagener","year":"1995","unstructured":"Wagener, M., Sadowsky, J. and Gasteiger, J., J. Am. Chem. Soc., 117 (1995) 7769.","journal-title":"J. Am. Chem. Soc."},{"key":"253222_CR23","first-page":"443","volume-title":"3D-QSAR in Drug Design: Theory, Methods and Applications","author":"S. Wold","year":"1993","unstructured":"Wold, S., Johansson, E. and Cocchi, M., In Kubinyi, H. (Ed.), 3D-QSAR in Drug Design: Theory, Methods and Applications, ESCOM, Leiden, 1993, pp. 443\u2013485."},{"key":"253222_CR24","unstructured":"SYBYL molecular modelling system, available from Tripos Associates, Inc., St. Louis, MO."},{"key":"253222_CR25","unstructured":"QUANTA (v. 4.0), Molecular Simulations Inc., Burlington, MA, 1994."},{"key":"253222_CR26","unstructured":"MOPAC: Quantum Chemistry Program Exchange no. 455."},{"key":"253222_CR27","doi-asserted-by":"crossref","first-page":"3792","DOI":"10.1021\/jm00099a007","volume":"35","author":"W.S. Saari","year":"1992","unstructured":"Saari, W.S., Wai, J.S., Fisher, T.E., Thomas, C.M., Hoffman, J.M., Rooney, C.S., Smith, A.M., Jones, J.H., Banbenger, D.L., Goldman, M.E., O'Brien, J.A., Nunberg, J.H., Quintero, J.C., Schleif, W.A., Emini, E.A. and Anderson, P.S., J. Med. Chem., 35 (1992) 3792.","journal-title":"J. Med. Chem."},{"key":"253222_CR28","doi-asserted-by":"crossref","first-page":"230","DOI":"10.1002\/jcc.540070216","volume":"7","author":"M. Clark","year":"1986","unstructured":"Clark, M., Cramer, R.D., III and Van Opdenbosch, N., J. Comput. Chem., 7 (1986) 230.","journal-title":"J. Comput. Chem."},{"key":"253222_CR29","unstructured":"Sybyl 6.0 TheoryManual, Tripos Inc., St. Louis, MO, p. 2070."},{"key":"253222_CR30","doi-asserted-by":"crossref","first-page":"209","DOI":"10.1002\/jcc.540100208","volume":"10","author":"J.J.P. Stewart","year":"1989","unstructured":"Stewart, J.J.P., J. Comput. Chem., 10 (1989) 209.","journal-title":"J. Comput. Chem."},{"key":"253222_CR31","doi-asserted-by":"crossref","first-page":"3902","DOI":"10.1021\/ja00299a024","volume":"107","author":"M.J.S. Dewar","year":"1985","unstructured":"Dewar, M.J.S., Zoebish, E.G., Healy, E.F. and Stewart, J.J.P., J. Am. Chem. Soc., 107 (1985) 3902.","journal-title":"J. Am. Chem. Soc."},{"key":"253222_CR32","doi-asserted-by":"crossref","first-page":"187","DOI":"10.1002\/jcc.540040211","volume":"4","author":"B.R. Brooks","year":"1983","unstructured":"Brooks, B.R., Bruccoleri, R.E., Olafson, B.D., States, D.J., Swaminathan, S. and Karplus, M., J. Comput. Chem., 4 (1983) 187.","journal-title":"J. Comput. Chem."},{"key":"253222_CR33","doi-asserted-by":"crossref","first-page":"9","DOI":"10.1002\/qsar.19930120103","volume":"12","author":"M. Baroni","year":"1993","unstructured":"Baroni, M., Costantino, G., Cruciani, G., Riganelli, D., Valigi, R. and Clementi, S., Quant. Struct.-Act. Relat., 12 (1993) 9.","journal-title":"Quant. Struct.-Act. Relat."},{"key":"253222_CR34","first-page":"717","volume-title":"3D-QSAR in Drug Design: Theory, Methods and Applications","author":"H. Kubinyi","year":"1993","unstructured":"Kubinyi, H. and Abraham, U., In Kubinyi, H. (Ed.) 3D-QSAR in Drug Design: Theory, Methods and Applications, ESCOM, Leiden, 1993, pp. 717\u2013728."},{"key":"253222_CR35","doi-asserted-by":"crossref","first-page":"1060","DOI":"10.1021\/jm00007a003","volume":"38","author":"S.J. Cho","year":"1995","unstructured":"Cho, S.J. and Tropsha, A., J. Med. Chem., 38 (1995) 1060.","journal-title":"J. Med. Chem."},{"key":"253222_CR36","unstructured":"Bravi, G. and Wikel, J.H., Quant. Struct.-Act. Relat., in press."},{"key":"253222_CR37","unstructured":"Bravi, G. and Wikel, J.H., Quant. Struct.-Act. Relat., submitted."}],"container-title":["Journal of Computer-Aided Molecular Design"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1023\/A:1008142124682.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/article\/10.1023\/A:1008142124682\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1023\/A:1008142124682.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,6,5]],"date-time":"2025-06-05T11:42:20Z","timestamp":1749123740000},"score":1,"resource":{"primary":{"URL":"https:\/\/link.springer.com\/10.1023\/A:1008142124682"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2000,4]]},"references-count":37,"journal-issue":{"issue":"3","published-print":{"date-parts":[[2000,4]]}},"alternative-id":["253222"],"URL":"https:\/\/doi.org\/10.1023\/a:1008142124682","relation":{},"ISSN":["0920-654X","1573-4951"],"issn-type":[{"type":"print","value":"0920-654X"},{"type":"electronic","value":"1573-4951"}],"subject":[],"published":{"date-parts":[[2000,4]]}}}