{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,19]],"date-time":"2025-10-19T05:36:19Z","timestamp":1760852179742},"reference-count":50,"publisher":"Springer Science and Business Media LLC","issue":"6","license":[{"start":{"date-parts":[[2005,6,1]],"date-time":"2005-06-01T00:00:00Z","timestamp":1117584000000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/www.springer.com\/tdm"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Comput Aided Mol Des"],"published-print":{"date-parts":[[2005,6]]},"DOI":"10.1007\/s10822-005-7575-8","type":"journal-article","created":{"date-parts":[[2005,10,17]],"date-time":"2005-10-17T05:52:13Z","timestamp":1129528333000},"page":"369-383","source":"Crossref","is-referenced-by-count":29,"title":["3D-chiral Atom, Atom-type, and Total Non-stochastic and Stochastic Molecular Linear Indices and their Applications to Central Chirality Codification"],"prefix":"10.1007","volume":"19","author":[{"given":"Yovani","family":"Marrero-Ponce","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Juan A.","family":"Castillo-Garit","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","reference":[{"key":"7575_CR1","doi-asserted-by":"crossref","first-page":"147","DOI":"10.1021\/ci000082a","volume":"41","author":"A. Golbraikh","year":"2001","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"7575_CR2","first-page":"37","volume":"719","author":"J.V. Juli\u00e1n-Ortiz de","year":"1996","journal-title":"J. Cromat."},{"key":"7575_CR3","volume-title":"Stereochemistry","author":"V.M., Potapov","year":"1988"},{"key":"7575_CR4","first-page":"189","volume":"160","author":"H. Schumacher","year":"1968","journal-title":"J. Pharmacol. Exp. Ther."},{"key":"7575_CR5","first-page":"43","volume":"78","author":"S.C. Stinson","year":"2000","journal-title":"Chem. Eng. News"},{"key":"7575_CR6","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/0166-1280(91)85239-4","volume":"232","author":"A.B. Buda","year":"1991","journal-title":"J. Mol. Struct. (Theochem)"},{"key":"7575_CR7","unstructured":"Avnir, D., Hel-Or, H.Z. and Mezey, P.G., In: Schleyer, P.V.R., Allinger, N.L., Clark, T., Gasteiger, J., Kollman, P.A., Schaefer III, H.F. and Schreiner P.R., (Eds.), Symmetry and Chirality: Continuos Measures, The Encyclopedia of Computational Chemistry, Vol. 4, Wiley, Chichester, 1998."},{"key":"7575_CR8","doi-asserted-by":"crossref","first-page":"462","DOI":"10.1021\/ja00106a053","volume":"117","author":"H. Zabrodsky","year":"1995","journal-title":"J. Am. Chem. Soc."},{"key":"7575_CR9","doi-asserted-by":"crossref","first-page":"864","DOI":"10.1021\/ci00027a011","volume":"35","author":"H.P. Schultz","year":"1995","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"7575_CR10","doi-asserted-by":"crossref","first-page":"14","DOI":"10.1016\/S1093-3263(98)00013-8","volume":"16","author":"J.V. Juli\u00e1n-Ortiz de","year":"1998","journal-title":"J. Mol. Graph. Mod."},{"key":"7575_CR11","doi-asserted-by":"crossref","first-page":"217","DOI":"10.1016\/S0097-8485(02)00053-0","volume":"27","author":"H. Gonz\u00e1lez-D\u00edaz","year":"2003","journal-title":"Comput. Biol. Chem."},{"key":"7575_CR12","doi-asserted-by":"crossref","first-page":"1699","DOI":"10.2174\/0929867013371923","volume":"8","author":"E. Estrada","year":"2001","journal-title":"Curr. Med. Chem."},{"key":"7575_CR13","doi-asserted-by":"crossref","first-page":"687","DOI":"10.3390\/80900687","volume":"8","author":"Y. Marrero-Ponce","year":"2003","journal-title":"Molecules"},{"key":"7575_CR14","doi-asserted-by":"crossref","first-page":"2010","DOI":"10.1021\/ci049950k","volume":"44","author":"Y. Marrero-Ponce","year":"2004","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"7575_CR15","doi-asserted-by":"crossref","first-page":"512","DOI":"10.3390\/i4080512","volume":"4","author":"Y. Marrero-Ponce","year":"2003","journal-title":"Int. J. Mol. Sci."},{"key":"7575_CR16","doi-asserted-by":"crossref","first-page":"1100","DOI":"10.3390\/91201100","volume":"9","author":"Y. Marrero-Ponce","year":"2004","journal-title":"Molecules"},{"key":"7575_CR17","doi-asserted-by":"crossref","first-page":"6351","DOI":"10.1016\/j.bmc.2004.09.034","volume":"12","author":"Y. Marrero-Ponce","year":"2004","journal-title":"Bioorg. Med. Chem."},{"key":"7575_CR18","first-page":"186","volume":"7","author":"Y. Marrero-Ponce","year":"2004","journal-title":"J. Pharm. Pharm. Sci."},{"key":"7575_CR19","doi-asserted-by":"crossref","first-page":"615","DOI":"10.1007\/s10822-004-5171-y","volume":"18","author":"Y. Marrero-Ponce","year":"2004","journal-title":"J. Comput. Aid. Mol. Des."},{"key":"7575_CR20","doi-asserted-by":"crossref","first-page":"1293","DOI":"10.1016\/j.bmc.2004.11.008","volume":"13","author":"Y. Marrero-Ponce","year":"2005","journal-title":"Bioorg. Med. Chem."},{"key":"7575_CR21","first-page":"124","volume":"4","author":"Y. Marrero-Ponce","year":"2005","journal-title":"Int. Elect. J. Mol. Des."},{"key":"7575_CR22","doi-asserted-by":"crossref","first-page":"1005","DOI":"10.1016\/j.bmc.2004.11.040","volume":"13","author":"Y. Marrero-Ponce","year":"2005","journal-title":"Bioorg. Med. Chem."},{"key":"7575_CR23","doi-asserted-by":"crossref","first-page":"276","DOI":"10.3390\/i5110276","volume":"5","author":"Y. Marrero-Ponce","year":"2004","journal-title":"Int. J. Mol. Sci."},{"key":"7575_CR24","doi-asserted-by":"crossref","first-page":"3397","DOI":"10.1016\/j.bmc.2005.03.010","volume":"13","author":"Y. Marrero-Ponce","year":"2005","journal-title":"Bioorg. Med. Chem."},{"key":"7575_CR25","doi-asserted-by":"crossref","first-page":"5331","DOI":"10.1016\/j.bmc.2004.07.051","volume":"12","author":"Y. Marrero-Ponce","year":"2004","journal-title":"Bioorg. Med. Chem."},{"key":"7575_CR26","doi-asserted-by":"crossref","first-page":"1124","DOI":"10.3390\/91201124","volume":"9","author":"Y. Marrero-Ponce","year":"2004","journal-title":"Molecules."},{"key":"7575_CR27","doi-asserted-by":"crossref","first-page":"3003","DOI":"10.1016\/j.bmc.2005.01.062","volume":"13","author":"Y. Marrero-Ponce","year":"2005","journal-title":"Bioorg. Med. Chem."},{"key":"7575_CR28","volume-title":"The Nature of Chemical Bond","author":"L. Pauling","year":"1939"},{"key":"7575_CR29","unstructured":"Eliel, E., Wilen, S. and Mander, L., Stereochemistry of Organic Compounds, John Wiley and Sons Inc, 1994."},{"key":"7575_CR30","doi-asserted-by":"crossref","first-page":"2145","DOI":"10.1021\/j100257a004","volume":"89","author":"M.J.S. Dewar","year":"1985","journal-title":"J. Phys. Chem."},{"key":"7575_CR31","unstructured":"Marrero-Ponce, Y., Romero, V., TOMOCOMD software. Central University of Las Villas, 2002. TOMOCOMD (TOpological MOlecular COMputer Design) for Windows, version 1.0 is a preliminary experimental version; in future a professional version will be obtained upon request to Y. Marrero: yovanimp@qf.uclv.edu.cu; ymarrero77@yahoo. es."},{"key":"7575_CR32","unstructured":"STATISTICA version. 6.0, Statsoft, Inc."},{"key":"7575_CR33","doi-asserted-by":"crossref","first-page":"412","DOI":"10.1093\/bioinformatics\/16.5.412","volume":"16","author":"P. Baldi","year":"2000","journal-title":"Bioinformatics"},{"key":"7575_CR34","unstructured":"Ford M.-G. and Salt D.-W. The use of Canonical Correlation Analysis; In Chemometric Methods in Molecular Design van de Waterbeemd H., Ed. VCH Publishers New York, 1995, pp. 283\u2013292."},{"key":"7575_CR35","doi-asserted-by":"crossref","unstructured":"Wold S. and Erikson L. Statistical Validation of QSAR Results. In van de Waterbeemd H., Ed. Chemometric Methods in Molecular Design VCH Publishers New York, 1995, pp. 309\u2013318.","DOI":"10.1002\/9783527615452.ch5"},{"key":"7575_CR36","doi-asserted-by":"crossref","unstructured":"Belsey, D. A., Kuh, E. and Welsch, R.E., Regression Diagnostics, Wiley, New York, 1980.","DOI":"10.1002\/0471725153"},{"key":"7575_CR37","doi-asserted-by":"crossref","first-page":"269","DOI":"10.1016\/S1093-3263(01)00123-1","volume":"20","author":"A. Golbraikh","year":"2002","journal-title":"J. Mol. Graph. Modell."},{"key":"7575_CR38","first-page":"11","volume":"9","author":"M. Vicent","year":"1992","journal-title":"Drug Des. Discov."},{"key":"7575_CR39","doi-asserted-by":"crossref","first-page":"5959","DOI":"10.1021\/ja00226a005","volume":"110","author":"R.D. Cramer III.","year":"1988","journal-title":"J. Amer. Chem. Soc."},{"key":"7575_CR40","unstructured":"Coats, E.A. In 3D QSAR in Drug Design.V.3. Kubinyi, H., Folkers, G., Martin, Y.C., (Eds.), Kluwer\/ESCOM: Dordrecht, 1998, pp 219\u2013213."},{"key":"7575_CR41","doi-asserted-by":"crossref","first-page":"237","DOI":"10.1002\/1521-3838(200006)19:3<237::AID-QSAR237>3.0.CO;2-A","volume":"19","author":"B.D. Silverman","year":"2000","journal-title":"Quant. Struct.-Act. Relat."},{"key":"7575_CR42","doi-asserted-by":"crossref","first-page":"199","DOI":"10.1023\/A:1017050508855","volume":"12\u201314","author":"E.A. Coats","year":"1998","journal-title":"Perspect. Drug Discov. Des."},{"key":"7575_CR43","doi-asserted-by":"crossref","first-page":"1390","DOI":"10.1021\/jm021077w","volume":"46","author":"N. Stief","year":"2003","journal-title":"J. Med. Chem."},{"key":"7575_CR44","doi-asserted-by":"crossref","first-page":"4130","DOI":"10.1021\/jm00050a010","volume":"37","author":"G. Klebe","year":"1994","journal-title":"J. Med. Chem."},{"key":"7575_CR45","doi-asserted-by":"crossref","unstructured":"Robert, D., Amat, L. and Carbo-Dorca, R., J. Chem. Inf. Comp. Sci., 39 (1999) 333.","DOI":"10.1021\/ci980410v"},{"key":"7575_CR46","first-page":"465","volume":"39","author":"M. Lobato","year":"1998","journal-title":"J. Chem. Inf. Comp. Sci."},{"key":"7575_CR47","doi-asserted-by":"crossref","first-page":"7769","DOI":"10.1021\/ja00134a023","volume":"117","author":"M. Wagener","year":"1995","journal-title":"J. Am. Chem. Soc."},{"key":"7575_CR48","doi-asserted-by":"crossref","first-page":"1344","DOI":"10.1002\/(SICI)1096-987X(199708)18:11<1344::AID-JCC2>3.0.CO;2-L","volume":"18","author":"M.F. Parretti","year":"1997","journal-title":"J. Comput. Chem."},{"key":"7575_CR49","doi-asserted-by":"crossref","first-page":"4347","DOI":"10.1021\/jm970487v","volume":"40","author":"S.S. So","year":"1997","journal-title":"J. Med. Chem."},{"key":"7575_CR50","doi-asserted-by":"crossref","first-page":"243","DOI":"10.1021\/ci970004w","volume":"39","author":"H. Chen","year":"1998","journal-title":"J. Chem. Inf. Comp. Sci."}],"container-title":["Journal of Computer-Aided Molecular Design"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s10822-005-7575-8.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/article\/10.1007\/s10822-005-7575-8\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s10822-005-7575-8","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2019,5,30]],"date-time":"2019-05-30T21:22:52Z","timestamp":1559251372000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/s10822-005-7575-8"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2005,6]]},"references-count":50,"journal-issue":{"issue":"6","published-print":{"date-parts":[[2005,6]]}},"alternative-id":["7575"],"URL":"https:\/\/doi.org\/10.1007\/s10822-005-7575-8","relation":{},"ISSN":["0920-654X","1573-4951"],"issn-type":[{"value":"0920-654X","type":"print"},{"value":"1573-4951","type":"electronic"}],"subject":[],"published":{"date-parts":[[2005,6]]}}}