Sentence examples for based on descriptors of from inspiring English sources
We have investigated the applicability of quantitative structure property relationships (QSPR), based on descriptors of molecular properties – developed originally for drug design QSPR – in the prediction of organic monomer parameters for construction of OPVs.
Based on descriptors of n-octanol/water partition coefficients (log Kow), molecular connectivity indices, and quantum chemical parameters, several QSAR models were built to estimate the soil sorption coefficients (log Koc) of substituted anilines and phenols.
Many quantitative structure activity relationship (QSAR) methods have been proposed to predict skin sensitizers based on descriptors of chemical structures [8 18].
All the equations based on descriptors of different categories involved quantum-chemical descriptors (Table S6).
All equations based on descriptors of the same categories used quantum-chemical descriptors, and in particular EHOMO and ELUMO.
For all hairpin sequences from an input sequence, a miRNA likelihood score L is calculated, given an underlying scoring model based on descriptors of the physical and sequence characteristics of miRNAs (Table 1; [see Additional file 1]).
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].
Scores obtained by training classification models to discriminate groups of taxa based on quantitative descriptors of the structure and complexity of their Networks of Interacting Pathways (NIPs).
Mixture descriptors developed in this study were constructed as suggested in previous work [3, 6], based on the descriptors of individual components of the mixture.
In both cases, selection was based on the descriptors of the compounds of the training set.
The QSAR based on several descriptors of the same category only involve quantum-chemical descriptors.
