{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,15]],"date-time":"2025-10-15T17:04:30Z","timestamp":1760547870626},"reference-count":43,"publisher":"Springer Science and Business Media LLC","issue":"1","license":[{"start":{"date-parts":[[1996,2,1]],"date-time":"1996-02-01T00:00:00Z","timestamp":823132800000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/www.springer.com\/tdm"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Computer-Aided Mol Des"],"published-print":{"date-parts":[[1996,2]]},"DOI":"10.1007\/bf00124466","type":"journal-article","created":{"date-parts":[[2004,11,2]],"date-time":"2004-11-02T16:55:29Z","timestamp":1099414529000},"page":"67-73","source":"Crossref","is-referenced-by-count":23,"title":["Determination of receptor-bound drug conformations by QSAR using flexible fitting to derive a molecular similarity index"],"prefix":"10.1007","volume":"10","author":[{"given":"C. A.","family":"Montanari","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"M. S.","family":"Tute","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"A. E.","family":"Beezer","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"J. C.","family":"Mitchell","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","reference":[{"key":"CR1","doi-asserted-by":"crossref","first-page":"1252","DOI":"10.1021\/jm00166a026","volume":"33","author":"R.R. Tidwell","year":"1990","unstructured":"Tidwell, R.R., Jones, S.K., Geratz, J.D., Ohemeng, K.A., Cory, M. and Hall, J.E., J. Med. Chem., 33 (1990) 1252.","journal-title":"J. Med. Chem."},{"key":"CR2","doi-asserted-by":"crossref","first-page":"1381","DOI":"10.1128\/AAC.34.7.1381","volume":"34","author":"C.A. Bell","year":"1990","unstructured":"Bell, C.A., Hall, J.E., Kyle, D.E., Grogl, M., Ohmeng, K.A., Allen, M.A. and Tidwell, R.R., Antimicrob. Agents Chemother., 34 (1990) 1381.","journal-title":"Antimicrob. Agents Chemother."},{"key":"CR3","doi-asserted-by":"crossref","first-page":"1099","DOI":"10.1128\/AAC.35.6.1099","volume":"35","author":"C.A. Bell","year":"1991","unstructured":"Bell, C.A., Cory, M., Farilay, T.A., Hall, J.E. and Tidwell, R.R., Antimicrob. Agents Chemother., 35 (1991) 1099 and references cited therein.","journal-title":"Antimicrob. Agents Chemother."},{"key":"CR4","doi-asserted-by":"crossref","first-page":"7104","DOI":"10.1021\/bi00146a011","volume":"31","author":"K.J. Edwards","year":"1992","unstructured":"Edwards, K.J., Jenkens, T.C. and Neidle, S., Biochemistry, 31 (1992) 7104.","journal-title":"Biochemistry"},{"key":"CR5","doi-asserted-by":"crossref","unstructured":"Lowe, P.R., Sansom, C.E., Schwalbe, C.H. and Stevens, M.F.G., J. Chem. Soc., Chem. Commun., (1989) 1164.","DOI":"10.1039\/c39890001164"},{"key":"CR6","doi-asserted-by":"crossref","first-page":"4554","DOI":"10.1021\/jm00052a014","volume":"37","author":"I.O. Donkor","year":"1994","unstructured":"Donkor, I.O., Tidwell, R.R. and Jones, S.K., J. Med. Chem., 37 (1994) 4554.","journal-title":"J. Med. Chem."},{"key":"CR7","unstructured":"HyperChem, Release 2 for Silicon Graphics, Autodesk, Inc., Sausalito, CA, 1992."},{"key":"CR8","unstructured":"PIMMS v. 1.46, Oxford Molecular Ltd., Oxford, 1994."},{"key":"CR9","doi-asserted-by":"crossref","first-page":"1185","DOI":"10.1002\/qua.560170612","volume":"17","author":"R. Carbo","year":"1980","unstructured":"Carbo, R., Leyda, L. and Arnam, M., Int. J. Quantum Chem., 17 (1980) 1185.","journal-title":"Int. J. Quantum Chem."},{"key":"CR10","unstructured":"ASP v. 3.11, Oxford Molecular Ltd., Oxford, 1994."},{"key":"CR11","unstructured":"TSAR v. 2.31, Oxford Molecular Ltd., Oxford, 1994."},{"key":"CR12","volume-title":"Substituent Constants for Correlation Analysis in Chemistry and Biology","author":"C. Hansch","year":"1979","unstructured":"Hansch, C. and Leo, A., Substituent Constants for Correlation Analysis in Chemistry and Biology, Wiley, New York, NY, 1979."},{"key":"CR13","unstructured":"Molconn-X, v. 1.0 for Macintosh, Hall Associates Consulting, Eastern Nazarene College, Quincy, MA, 1991."},{"key":"CR14","doi-asserted-by":"crossref","first-page":"291","DOI":"10.1016\/S0079-6468(08)70281-9","volume":"25","author":"L. St\u00e5le","year":"1988","unstructured":"St\u00e5le, L. and Wold, S., Prog. Med. Chem., 25 (1988) 291.","journal-title":"Prog. Med. Chem."},{"key":"CR15","doi-asserted-by":"crossref","first-page":"583","DOI":"10.1002\/jps.2600700602","volume":"70","author":"L.B. Kier","year":"1981","unstructured":"Kier, L.B. and Hall, L.H., J. Pharm. Sci., 70 (1981) 583.","journal-title":"J. Pharm. Sci."},{"key":"CR16","doi-asserted-by":"crossref","first-page":"354","DOI":"10.1007\/BF01607509","volume":"32","author":"L.H. Hall","year":"1984","unstructured":"Hall, L.H. and Kier, L.B., Bull. Environ. Contam. Toxicol., 32 (1984) 354.","journal-title":"Bull. Environ. Contam. Toxicol."},{"key":"CR17","doi-asserted-by":"crossref","first-page":"109","DOI":"10.1002\/qsar.19850040303","volume":"4","author":"L.B. Kier","year":"1985","unstructured":"Kier, L.B., Quant. Struct.-Act. Relatsh., 4 (1985) 109.","journal-title":"Quant. Struct.-Act. Relatsh."},{"issue":"1","key":"CR18","doi-asserted-by":"crossref","first-page":"7","DOI":"10.1002\/qsar.19860050103","volume":"5","author":"L.B. Kier","year":"1986","unstructured":"Kier, L.B., Quant. Struct.-Act. Relatsh., 5 (1986 1, 7.","journal-title":"Quant. Struct.-Act. Relatsh."},{"key":"CR19","doi-asserted-by":"crossref","first-page":"8","DOI":"10.1002\/qsar.19870060103","volume":"6","author":"L.B. Kier","year":"1987","unstructured":"Kier, L.B., Quant. Struct.-Act. Relatsh., 6 (1987) 8.","journal-title":"Quant. Struct.-Act. Relatsh."},{"key":"CR20","doi-asserted-by":"crossref","first-page":"115","DOI":"10.1002\/qsar.19900090207","volume":"9","author":"L.H. Hall","year":"1990","unstructured":"Hall, L.H. and Kier, L.B., Quant. Struct.-Act. Relatsh., 9 (1990) 115.","journal-title":"Quant. Struct.-Act. Relatsh."},{"key":"CR21","doi-asserted-by":"crossref","first-page":"229","DOI":"10.1007\/BF01200825","volume":"7","author":"L.B. Kier","year":"1991","unstructured":"Kier, L.B., Hall, L.H. and Frazer, J.W., J. Math. Chem., 7 (1991) 229.","journal-title":"J. Math. Chem."},{"key":"CR22","doi-asserted-by":"crossref","first-page":"43","DOI":"10.1002\/qsar.19910100108","volume":"10","author":"L.H. Hall","year":"1991","unstructured":"Hall, L.H., Mohney, B. and Kier, L.B., Quant. Struct.-Act. Relatsh., 10 (1991) 43.","journal-title":"Quant. Struct.-Act. Relatsh."},{"key":"CR23","doi-asserted-by":"crossref","first-page":"144","DOI":"10.1016\/0263-7855(92)80048-I","volume":"10","author":"A.C. Good","year":"1992","unstructured":"Good, A.C., J. Mol. Graphics, 10 (1992) 144.","journal-title":"J. Mol. Graphics"},{"key":"CR24","doi-asserted-by":"crossref","first-page":"188","DOI":"10.1021\/ci00007a002","volume":"32","author":"A.C. Good","year":"1992","unstructured":"Good, A.C., Hodgkin, E.E. and Richards, W.G., J. Chem. Inf. Comput. Sci., 32 (1992) 188.","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"CR25","doi-asserted-by":"crossref","first-page":"112","DOI":"10.1021\/ci00011a016","volume":"33","author":"A.C. Good","year":"1993","unstructured":"Good, A.C. and Richards, W.G., J. Chem. Inf. Comput. Sci., 33 (1993) 112.","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"CR26","doi-asserted-by":"crossref","first-page":"3201","DOI":"10.1021\/jm00095a016","volume":"35","author":"S.S. So","year":"1992","unstructured":"So, S.S. and Richards, W.G., J. Med. Chem., 35 (1992) 3201.","journal-title":"J. Med. Chem."},{"key":"CR27","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.S. and Richards, W.G., J. Med. Chem., 36 (1993) 433.","journal-title":"J. Med. Chem."},{"key":"CR28","doi-asserted-by":"crossref","first-page":"513","DOI":"10.1007\/BF00130401","volume":"6","author":"A.C. Good","year":"1992","unstructured":"Good, A.C., Hodgkin, E.E. and Richards, W.G., J. Comput.-Aided Mol. Design, 6 (1992) 513.","journal-title":"J. Comput.-Aided Mol. Design"},{"key":"CR29","doi-asserted-by":"crossref","first-page":"112","DOI":"10.1021\/ci00011a016","volume":"33","author":"A.C. Good","year":"1993","unstructured":"Good, A.C. and Richards, W.G., J. Chem. Inf. Comput. Sci., 33 (1993) 112.","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"CR30","doi-asserted-by":"crossref","first-page":"629","DOI":"10.1021\/jm00004a009","volume":"38","author":"R. Benigni","year":"1995","unstructured":"Benigni, R., Cottaramusino, M., Giorgi, F. and Gallo, G., J. Med. Chem., 38 (1995) 629.","journal-title":"J. Med. Chem."},{"key":"CR31","volume-title":"Quantitative Drug Design: A Critical Introduction","author":"Y.C. Martin","year":"1978","unstructured":"Martin, Y.C., Quantitative Drug Design: A Critical Introduction, Marcel Dekker, New York, NY, 1978."},{"key":"CR32","first-page":"1","volume":"6","author":"M.S. Tute","year":"1971","unstructured":"Tute, M.S., Adv. Drug Res., 6 (1971) 1.","journal-title":"Adv. Drug Res."},{"key":"CR33","first-page":"1","volume-title":"Comprehensive Medicinal Chemistry, Vol. 4, Quantitative Drug Design","author":"M.S. Tute","year":"1990","unstructured":"Tute, M.S., In Hansch, C. (Ed.) Comprehensive Medicinal Chemistry, Vol. 4, Quantitative Drug Design, Pergamon Press, New York, NY, 1990, pp. 1?31."},{"key":"CR34","doi-asserted-by":"crossref","first-page":"245","DOI":"10.1002\/jcp.1030540420","volume":"54","author":"D.E. Koshland Jr.","year":"1959","unstructured":"Koshland, Jr., D.E., J. Cell. Comput. Physiol., 54 (1959) 245.","journal-title":"J. Cell. Comput. Physiol."},{"key":"CR35","first-page":"45","volume":"22","author":"D.E. Koshland Jr.","year":"1960","unstructured":"Koshland, Jr., D.E., Adv. Enzymol. 22 (1960) 45.","journal-title":"Adv. Enzymol."},{"key":"CR36","doi-asserted-by":"crossref","first-page":"98","DOI":"10.1073\/pnas.44.2.98","volume":"44","author":"D.E. Koshland Jr.","year":"1958","unstructured":"Koshland, Jr., D.E., Proc. Natl. Acad. Sci. USA, 44 (1958) 98.","journal-title":"Proc. Natl. Acad. Sci. USA"},{"key":"CR37","doi-asserted-by":"crossref","first-page":"291","DOI":"10.1016\/0065-2571(68)90018-6","volume":"6","author":"D.E. Koshland Jr.","year":"1968","unstructured":"Koshland, Jr., D.E., Adv. Enzyme Regul., 6 (1968) 291.","journal-title":"Adv. Enzyme Regul."},{"key":"CR38","first-page":"129","volume":"27","author":"D.E. Koshland Jr.","year":"1966","unstructured":"Koshland, Jr., D.E. and Kirtlwy, M.E., Natl. Cancer Inst. Monogr., 27 (1966) 129.","journal-title":"Natl. Cancer Inst. Monogr."},{"key":"CR39","doi-asserted-by":"crossref","first-page":"1372","DOI":"10.1021\/bi00219a030","volume":"30","author":"A.E. Lane","year":"1991","unstructured":"Lane, A.E., Jenkins, T.C., Brown, T. and Neidle, S., Biochemistry, 30 (1991) 1372.","journal-title":"Biochemistry"},{"key":"CR40","first-page":"143","volume":"5","author":"C.E. Sansom","year":"1990","unstructured":"Sansom, C.E., Laughton, C.A., Neidle, S., Schwalbe, C.H. and Stevens, M.F.G., Anti-Cancer Drug Des., 5 (1990) 143.","journal-title":"Anti-Cancer Drug Des."},{"key":"CR41","doi-asserted-by":"crossref","first-page":"1175","DOI":"10.1111\/j.1432-1033.1993.tb17868.x","volume":"213","author":"T.C. Jenkins","year":"1993","unstructured":"Jenkins, T.C., Lane, A.N., Neidle, S. and Brown, D.G., Eur. J. Biochem., 213 (1993) 1175.","journal-title":"Eur. J. Biochem."},{"key":"CR42","doi-asserted-by":"crossref","first-page":"458","DOI":"10.1021\/jm00322a002","volume":"9","author":"E.E. Smissman","year":"1966","unstructured":"Smissman, E.E., Nelson, W.L., LaPidus, J.B. and Day, J.L., J. Med. Chem., 9 (1966) 458.","journal-title":"J. Med. Chem."},{"key":"CR43","doi-asserted-by":"crossref","first-page":"1037","DOI":"10.1021\/jm00300a003","volume":"13","author":"P.D. Armstrong","year":"1970","unstructured":"Armstrong, P.D. and Cannon, J.G., J. Med. Chem., 13 (1970) 1037.","journal-title":"J. Med. Chem."}],"container-title":["Journal of Computer-Aided Molecular Design"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/BF00124466.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/article\/10.1007\/BF00124466\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/BF00124466","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2019,4,3]],"date-time":"2019-04-03T09:17:53Z","timestamp":1554283073000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/BF00124466"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[1996,2]]},"references-count":43,"journal-issue":{"issue":"1","published-print":{"date-parts":[[1996,2]]}},"alternative-id":["BF00124466"],"URL":"https:\/\/doi.org\/10.1007\/bf00124466","relation":{},"ISSN":["0920-654X","1573-4951"],"issn-type":[{"value":"0920-654X","type":"print"},{"value":"1573-4951","type":"electronic"}],"subject":[],"published":{"date-parts":[[1996,2]]}}}