Sentence examples for modeling of mixtures from inspiring English sources

As in classical QSAR, a rigorous external validation protocol is required to estimate the modeling of mixtures.

Rigorous protocols for external validation were developed for QSAR modeling of mixtures and are presented in [3, 6].

The modeling of mixtures provides automatic calculation of prediction accuracy, use of a wide spectrum of machine-learning algorithms and descriptors, and storage, publishing, and application of models.

Thus, in our previous work modeling of mixtures was limited to only two sets of fragment-like descriptors, namely ISIDA fragments [7] and simplex descriptors [8], plus a few machine-learning approaches.

In this respect, mechanistic modeling of mixtures may benefit from the developments coming from the arena of molecular biology (toxicogenomics) which offers an in-depth analysis of several involved enzymatic pathways in parallel through the use of a systems biology approach.

A number of experimental designs have been developed to address specifically the analysis and modeling of mixtures.

As a result, the measured concentrations should provide the basis for the mathematical modeling of mixture effects.

This has involved the single-substance testing of the individual mixture components in order to gain information for the modeling of mixture effects.

A predictive method for PVT modelling of mixtures containing CFCs, HCFCs, HFCs, FCs and hydrocarbons has thus been developed.

Bayesian models for clustering of genotype data use the framework of mixture models to model individuals.

This nonuniformity is ignored in multiscale models of mixture and causes prediction errors.