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In this method, the compound loading pattern obtained from first and second vibration mode is calculated in the form of a unit LP via Eq. 4: F_{j} = omega_{1} mphi_{1} + omega_{2} mphi_{2} left( {{{q_{2} } mathord{left/ {vphantom {{q_{2} } {q_{1} }}} right. kern-0pt} {q_{1} }}} right).
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Three methods the Integral Groundwater Investigation method, the compound-specific isotope analysis (CSIA) and a newly developed combination of both were used in this work to quantify at field scale the biodegradation of o-xylene at a former gasworks site which is heavily contaminated with BTEX and PAHs.
If no matching compounds were found and methoxyamination was suspected (note, the =N O CH3 moiety added by methoxyamination did not contain C or N and, thus, was "invisible" by our metabolic labeling method), the compounds were demethoxyaminated by subtraction of NCH3 and refiltered for nitrogen and carbon.
The method treats the compound as a new component containing stoichiometric amounts of the constituent species.
Simulation and experimental studies validate the effectiveness of the proposed method for the compound fault diagnosis of gearboxes.
When swapping feature values for a fragment, the method takes the compound structure into account.
Herein, this method reflected the compound's effects on the biological pathway and correlated to the phenotype data which could provide different opinions on pathway based virtual screening.
The five ROC curves in each panel correspond to the performance of the search method when the compound spectra contain one, two, or three co-identifiable peptides.
This method determines the compound concentration at which a subject is able to distinguish consistently a compound-containing solution from pure water.
In this article, we correct this flaw in the analysis and the propose method, treating the compound score as a random covariate, can achieve more appropriate results and improve study power for survival outcomes.
The Progol SAR method was tested by prediction of a set of compounds that have been widely predicted by other SAR methods (the compounds used in the NTP's first round of carcinogenesis predictions).
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