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Graphics Modell."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"3219","DOI":"10.1016\/0040-4020(80)80168-2","volume":"36","author":"Gasteiger J.","year":"1980","journal-title":"Tetrahedron"},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"940","DOI":"10.1021\/ci034228s","volume":"44","author":"Binev Y.","year":"2004","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"419","DOI":"10.1021\/ci400648s","volume":"54","author":"Laatikainen R.","year":"2014","journal-title":"J. Chem. Inf. Model."},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"2319","DOI":"10.1021\/cr00032a005","volume":"94","author":"Reichardt C.","year":"1994","journal-title":"Chem. Rev."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"21","DOI":"10.1109\/TIT.1967.1053964","volume":"13","author":"Cover T.","year":"1967","journal-title":"IEEE Trans. Inf. Theory"},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"717","DOI":"10.1021\/ci010379o","volume":"42","author":"Tetko I. V.","year":"2002","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","DOI":"10.1007\/978-3-662-04201-4","volume-title":"Structure Determination of Organic Compounds: Tables of Spectral Data","author":"Pretsch E.","year":"2000","edition":"3"},{"key":"ref26\/cit26","volume-title":"Fluorine Coupling Constants","author":"Emsley J. W.","year":"1977"},{"key":"ref27\/cit27","unstructured":"Reich, H. J.Proton-proton coupling,http:\/\/www.chem.wisc.edu\/areas\/reich\/handouts\/nmr-h\/h-coupling.htm(accessed Feb 24, 2014) ."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"129","DOI":"10.1016\/S0022-2860(01)00591-9","volume":"597","author":"Constantino M. G.","year":"2001","journal-title":"J. Mol. Struct."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"490","DOI":"10.1002\/(SICI)1096-987X(199604)17:5\/6<490::AID-JCC1>3.0.CO;2-P","volume":"17","author":"Halgren T. A.","year":"1996","journal-title":"J. Comput. Chem."},{"key":"ref30\/cit30","unstructured":"R Core Team. R: A Language and Environment for Statistical Computing, 2013."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"1","DOI":"10.18637\/jss.v021.i05","volume":"21","author":"Wehrens R.","year":"2007","journal-title":"J. Stat. 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