+ Resolve Article
+ Follow Us
Follow on FacebookFollow on Facebook
Follow on TwitterFollow on Twitter

+ Translate
+ Subscribe to Site Feed
GeoScience Most Shared ContentMost Shared Content

Orthogonalization of block variables by subspace-projection for quantitative structure property relationship (QSPR) research

, : Orthogonalization of block variables by subspace-projection for quantitative structure property relationship (QSPR) research. Journal of Chemical Information and Computer Sciences 42(5): 993-1003

A subspace-projection method is developed to construct orthogonal block variable, which is originally from some kinds of series of topological indices or quantum chemical parameters. With the help of canonical correlation analysis, the orthogonal block variables were used to establish the structure-retention index correlation model. The regression of only few new orthogonal variables obtained by canonical correlation analysis against retention index shows significant improvement both in fitting and prediction ability of the correlation model. Moreover, the quantitative intercorrelation between the different block variables of topological indices can also be evaluated with the help of the subspace-projection technique proposed in this work.


PMID: 12376986

Other references

Wagner, A., 1961: On the clinical aspects of Torulopsis neoformans infection (cryptococcosis). Deutsches Archiv für Klinische Medizin 207: 492-509

Kramli A., 1976: Experiences in the domain of the microbiological protein production on various carbon sources. Proceedings of the Hungarian Annual Meeting for Biochemistry 16: 27-28

Adams, T.E.; Kinder, J.E.; Chakraborty, P.K.; Estergreen, V.L.; Reeves, J.J., 1975: Ewe luteal function influenced by pulsatile administration of synthetic luteinizing hormone releasing hormone follicle stimulating hormone releasing hormone. The influence of repetitive administration of synthetic [luteinizing hormone releasing hormone/ follicle stimulating hormone releasing hormone] or saline (S) on 17.beta.-estradiol (E2)-induced precocious luteal regression in the ewe was examined....

Hopper, A.D.; Sanders, D.S., 2011: Upper GI bleeding requires prompt investigation. Upper GI bleeding is a common medical emergency with an incidence in the UK of 103 cases per 100,000 adults per year and is much more common in the elderly. The most common presenting signs are haematemesis (bright red or 'coffee ground'...

Ando, M.; Mori, A.; Esaki, H.; Shiraki, T.; Uemura, H.; Okazawa, M.; Sakakibara, H., 2003: The effect of pulmonary rehabilitation in patients with post-tuberculosis lung disorder. Study objectives: Although the benefit of pulmonary rehabilitation (PR) has been demonstrated for patients with COPD, the benefit for patients with non-COPD lung disorders is still unclear. In the present study, we compared the effect of PR on pat...

Williams, R.R.E.; Broad, S.; Sheer, D.; Ragoussis, J., 2002: Subchromosomal positioning of the epidermal differentiation complex (EDC) in keratinocyte and lymphoblast interphase nuclei. The epidermal differentiation complex (EDC) at 1q21 is host to many structurally and functionally related genes coding for proteins involved in the differentiation process of keratinocytes. The grouping together of these genes which share spatial...

Heraud, G.; Stoft, H., 1964: Very Severe Allergic Shock Following Rectal Penicillin Administration; Subsequent Cardiac Disorders. La Presse Medicale 72: 2931-2932

Khodzhaev S.K., 1970: The clinical picture of el tor cholera. Sovetskaya Meditsina 33(7): 20-24

Nam, J-Ock.; Son, H-Nam.; Jun, E.; Cha, K.; Lee, B-Heon.; Park, R-Woon.; Kim, I-San., 2013: FAS1 domain protein inhibits VEGF165-induced angiogenesis by targeting the interaction between VEGFR-2 and αvβ3 integrin. It is known that VEGF receptors (VEGFR) and integrins interact with each other to regulate angiogenesis. We reported previously that the fasciclin 1 (FAS1) domain-containing protein, TGFBIp/βig-h3 (TGF-β-induced protein) is an angiogenesis regul...

Rowe Timothy; Greenwald Nancy Simmons, 1987: The phylogenetic position and origin of Multituberculata. Journal of Vertebrate Paleontology 7(3, Suppl