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TrixS BMI is an adaptation of the structure-based virtual screening tool TrixX BMI [1] and uses an approach based on descriptors containing pharmacophoric and shape information, as well as an indexed database.
Drug-likeness of ligands within this study was evaluated based on descriptors proposed by Lipinski [39] and Veber [40], allowing for some tolerances for upper and lower limits.
Many quantitative structure activity relationship (QSAR) methods have been proposed to predict skin sensitizers based on descriptors of chemical structures [8 18].
In case of a model, based on descriptors (e.g., a regression model), the procedure is slightly more complex, as explained below.
The common approach for hand posture characterization is based on descriptors like Hu moments [6], Zernike moments [7], and Fourier descriptors [8, 9].
Alternatively, quantitative structure retention relationship (QSRR) provides a promising method for the estimation of retention time based on descriptors derived solely from the molecular structure to fit experimental data [6 8].
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Parametric applicability domain restricts chemical compounds based on descriptor values.
Based on descriptor redundancy property solution are proposed in terms of Linear Matrix Inequalities (LMIs).
An integrated residual generation and evaluation design based on descriptor-system-approach observer is proposed for acquiring the occurrences of sensor fault.
This would imply, that inferences and models based on descriptor classifications (e.g. QSAR) are likely to be biased, thereby requiring an assessment of their reliability.
There is now general agreement based on descriptor studies that perceptions of "work and effort," "air hunger or unsatisfied breaths," and "chest tightness" are separable qualities of dyspnea, and recent work suggests they are likely distinct [29].
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CEO of Professional Science Editing for Scientists @ prosciediting.com