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1.
In this paper various ensemble learning methods from machine learning and statistics are considered and applied to the customer choice modeling problem. The application of ensemble learning usually improves the prediction quality of flexible models like decision trees and thus leads to improved predictions. We give experimental results for two real-life marketing datasets using decision trees, ensemble versions of decision trees and the logistic regression model, which is a standard approach for this problem. The ensemble models are found to improve upon individual decision trees and outperform logistic regression. 相似文献
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Philippe Quevauviller Rob Ritsema Roberto Morabito Wilfried M. R. Dirkx Salvatore Chiavarini Jos M. Bayona Olivier F. X. Donard 《应用有机金属化学》1994,8(6):541-549
Biogeochemical pathways of tin species in the environment are still controversial, e.g. with regard to methylation and transmethylation phenomena, owing to the fact that the identification of methylated tin-compounds is often difficult. The previous tentative identification of a mixed methylbutyltin compound in sediment and biological samples by GC/AAS after hydride generation gave an illustration of this problem. This compound was previously identified in sediments by other authors and also suspected to occur in a contaminated sediment sample from the Boyardville Marina, France. The retention time obtained by GC/AAS corresponded to the actual retention time of a mixed methylbutyltin calibrant. However, additional checks demonstrated that the compound detected was actually monophenyltin. This evidence was produced by a thorough analysis of a selected sediment sample by alternative techniques such as GC/AAS and GC/AES after pentylation, GC/FPD and GC/MS. The results presented highlight the need for a full identification of compounds to avoid mis-interpretation. 相似文献
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The super-macromolecular complex, succinate:quinone oxidoreductase (SQR, Complex II, succinate dehydrogenase) couples the oxidation of succinate in the matrix / cytoplasm to the reduction of quinone in the membrane. This function directly connects the Krebs cycle and the aerobic respiratory chain. Until the recent first report of the structure of SQR from Escherichia coli (E. coli) the structure-function relationships in SQR have been inferred from the structures of the homologous QFR, which catalyses the same reaction in the opposite direction. The structure of SQR from E. coli, analogous to the mitochondrial respiratory Complex II, has provided new insight into SQR's molecular design and mechanism, revealing the electron transport pathway through the enzyme. Comparison of the structures of SQR, QFR and other related flavoproteins shows how common amino acid residues at the interface of two domains facilitate the inter-conversion of succinate and fumarate. Additionally, the structure has provided a possible explanation as to why certain organisms utilise both SQR and QFR despite the fact that both can catalyse the inter-conversion of succinate and fumarate, in vitro and in vivo. Here we review how this structure has advanced our knowledge of this important enzyme and compare the structural information to other members of the Complex II superfamily and related flavoproteins. 相似文献
6.
Anton M. ter Laak Hendrik Timmerman Rob Leurs Paul H. J. Nederkoorn Martine J. Smit Gabriëlle M. Donné-Op den Kelder 《Journal of computer-aided molecular design》1995,9(4):319-330
Summary A modelling study has been carried out, investigating the binding of histamine (Hist), 2-methylhistamine (2-MeHist) and 2-phenylhistamine (2-PhHist) at two postulated agonistic binding sites on transmembrane domain 5 (TM5) of the histamine H1-receptor. For this purpose a conformational analysis study was performed on three particular residues of TM5, i.e., Lys200, Thr203 and Asn207, for which a functional role in binding has been proposed. The most favourable results were obtained for the interaction between Hist and the Lys200/Asn207 pair. Therefore, Lys200 was subsequently mutated and converted to an alanine, resulting in a 50-fold decrease of H1-receptor stimulation by histamine. Altogether, the data suggest that the Lys200/Asn207 pair is important for activation of the H1-receptor by histamine. In contrast, analogues of 2-PhHist seem to belong to a distinct subclass of histamine agonists and an alternative mode of binding is proposed in which the 2-phenyl ring binds to the same receptor location as one of the aromatic rings of classical histamine H1-antagonists. Subsequently, the binding modes of the agonists Hist, 2-MeHist and 2-PhHist and the H1-antagonist cyproheptadine were evaluated in three different seven--helical models of the H1-receptor built in homology with bacteriorhodopsin, but using three different alignments. Our findings suggest that the position of the carboxylate group of Asp116 (TM3) within the receptor pocket depends on whether an agonist or an antagonist binds to the protein; a conformational change of this aspartate residue upon agonist binding is expected to play an essential role in receptor stimulation.Abbreviations 2-MeHist
2-methylhistamine
- 2-PEA
2-pyridyl-ethylamine
- 2-PhHist
2-phenylhistamine
- CHO
Chinese hamster ovary
- Eint
interaction energy
- Estr
strain energy
- GES
global energy structure
- gpH1R
guinea pig H1-receptor
- GPCR
G-protein coupled receptor
- Hist
histamine
- N
proximal nitrogen
- N
tele nitrogen
- TM
transmembrane domain
- WT
wild type 相似文献
7.
[reaction: see text] The solid-supported synthesis followed by cyclization in solution of cyclic (alpha(2)beta)-tripeptides, potential peptide beta-turn mimetics, is described. The cyclization takes advantage of facilitating the rotation between trans- and cis-rotamers of two amide bonds. The method is amenable to combinatorial approaches as is illustrated by the synthesis of a small array of cyclic (alpha(2)beta)-tripeptides. 相似文献
8.
M. H. Hashmi Ahmad Iftikhar Ajmal Abdur Rashid Tehseen Qureshi 《Mikrochimica acta》1969,57(1):100-107
Summary Cupric chloride-triphenylphosphine complex gives red color witho-phenylenediamine having maximum absorption at 505–520 nm and 0.5g/ml as visual limit of identification. The reaction is specific foro-phenylenediamine and obeys Beer's law (1 to 10g/ml). This reaction provides the basis of a new method for the Spectrophotometric determination ofo-phenylenediamine ing quantities.Ruthenium trichloride-triphenylphosphine complex gives blue color withp-phenylenediamine having maximum absorption at 580 nm and 2g/ml as visual limit of identification. On the basis of this color reaction a Spectrophotometric method for the determination ofp-phenylenediamine in hair dyes is described. The recovery of the dye from commercial preparations is better than 97%. Other organic compounds do not interfere.
Zusammenfassung Kupfer(II)chlorid-triphenylphosphin reagiert mito-Phenylendiamin unter Rotfärbung mit maximaler Absorption bei 505 bis 520 nm und 0,5g/ml als Erfassungsgrenze. Die Reaktion ist für o-Phenylendiamin spezifisch und folgt dem Beerschen Gesetz zwischen 1 und 10g/ml. Sie dient als Grundlage für eine neue Methode der spektrophotometrischen Bestimmung von Mikrogrammengen o-Phenylendiamin.Rutheniumtrichlorid-triphenylphosphin reagiert mit p-Phenylendiamin unter Blaufärbung mit maximaler Absorption bei 580 nm und 2g/ml als Erfassungsgrenze. Auf dieser Grundlage läßt sich p-Phenylendiamin in Haarfärbemitteln bestimmen. In handelsüblichen Präparaten werden mehr als 97% des enthaltenen Farbstoffes gefunden. Andere Verbindungen stören nicht.相似文献
9.
Vugts DJ Jansen H Schmitz RF de Kanter FJ Orru RV 《Chemical communications (Cambridge, England)》2003,(20):2594-2595
In a multi-component reaction (MCR) of a phosphonate, nitriles, aldehydes and isocyanates, N3-functionalised dihydropyrimidines can be synthesised efficiently via a Horner-Emmons/aza Diels-Alder pathway. 相似文献
10.
Summary Palladium and uranium react with 4,4-acetalidine-bis-(3-methyl isoxazolone-5) in acid medium to give yellow color having a visual limit of identification at 2 and 15g per ml. This color reaction provides the basis of a new method for colorimetric determination of palladium and uranium. Copper also gives yellow color but it cannot be determined with this color reaction because the color intensity is not stable. The maximum tolerable limit of various ions is reported.
Zusammenfassung Pd und U reagieren in saurem Milieu mit 4,4-Acetalidin-bis-(3-methyl-isoxazolon-5) unter Gelbfärbung mit einer Erfassungsgrenze von 2 bzw. 15g/ml. Diese Farbreaktion dient als Grundlage für eine neue kolorimetrische Methode für Pd und U. Cu gibt zwar auch eine Gelbfärbung, kann aber damit nicht bestimmt werden, da die Farbintensität nicht beständig ist. Die maximal tolerierbare Menge der Fremdionen wird angegeben.相似文献