Sentence examples for based on training set from inspiring English sources
We started the development of ligand-based pharmacophore models based on training set compounds with high activity (IC50 <100 nM) and several-fold selectivity for IKK-β over IKK-α.
The Cooper statistics based on training set indicated an accuracy of 91%, high value of sensitivity (96%) and specificity (86%).
Models were generated based on training set compounds using the Genetic Function Approximation (GFA) as implemented in the Discovery Studio [57] and the best model (based on the lack-of-fit criterion) was validated with the test set.
Statistically valid 3D-QSAR models with good correlation and predictive power were obtained with CoMFA steric and electrostatic fields (r2 = 0.797, q2 = 0.589) and CoMSIA with combined steric, electrostatic, hydrophobic and hydrogen bond acceptor fields (r2 = 0.867, q2 = 0.570) based on training set of 33 molecules with predictive r2 of 0.808 and 0.890 for CoMFA and CoMSIA respectively.
Several second layer network setups were tested in order to find the architecture with the highest cross-validated MCC value based on training set sequences.
The multivariate Cox models were built based on training set with the R package "survival".
Supervised and unsupervised classifications rely on classical set theory in assigning pixels into discrete classes based on training sets and some statistically determined criteria.
Previous studies have reported the development of in silico QSAR models based on training sets of relatively small and mostly similar compounds; this model covers a broader range of melanin-binding affinities than what has been previously published and identified several physiochemical descriptors to be considered in the design of compounds where melanin-binding modulation is desired.
They use state-of-the-art classifier to predict interactions based on training sets and identify thousands of new potential interactions.
However, it should be noted that the fitted model forming the basis of the Veridex signature was calculated on an entirely independent cohort of patients, in contrast to our models which were based on training sets from the TRANSBIG data.
