A validated fundamental correlation for Nusselt number as a function of Rayleigh number for charge and discharge is developed that can be used to design the sulfur-based thermal storage system for transient operation.
CoMFA derived QSAR model shows a good conventional squared correlation coefficient r2 and cross validated correlation coefficient r2cv 0.896 and 0.568 respectively.
The best CoMFA model afforded a leave-one-out correlation coefficient (q2) and a non-validated correlation coefficient (r2) of 0.578 and 0.988, respectively.
The best QSAR model developed had a good predictive correlation coefficient (r2) of 0.8319, a significant cross-validated correlation coefficient (q2) of 0.7550, and an r2 for the external test set (pred_r2) of 0.7983.
A significant cross-validated correlation coefficient Q2 (0.784), SEP (0.042) for CoMSIA were obtained, indicating the statistical significance of the correlation.
This graphical analysis presents the positive and negative correlations well segregated and it allows to identify those gene pairs that have a significant "cross-validated correlation", discriminated from those false gene-pairs that have low r or low N values.
Hydrogen atoms as a fragment distinction and a fragment size of 3 6 showed a leave-one-out cross-validated correlation coefficient (q2LOO) of 0.849 and a non-cross-validated correlation coefficient (r2) of 0.927.
AirGIS is a validated model: High correlation was found between AirGIS estimated and measured NO2 values (Raaschou-Nielsen et al. 2000), which has been used in a number of studies (Andersen et al. 2012b, 2012c; Raaschou-Nielsen et al. 2011, 2012, 2013) and is described in more detail in the Supplemental Material, "AirGIS Human Exposure Modelling System".
3D QSAR analysis by kNN-molecular field analysis approach developed based on principles of the k-nearest neighbor method combined with Genetic algorithms, stepwise forward variable selection approach; a leave-one-out cross-validated correlation coefficient (q2) of 0.6516 and a non-cross-validated correlation coefficient (r2) of 0.8316 and pred_r2 0.6954 were obtained.
The generated 3D QSAR model showed statistically significant results with an r2 value of 0.8267, cross-validated correlation coefficient q2 of 0.7232, and a pred_r2 (r2 value for test set) of 0.7460.
