Bayesian classification

Sun, H. (2006) An accurate and interpretable Bayesian classification model for prediction of HERG liability. ChemMedChem, 1, 315—322. 

FIGURE 5.4 Linear discriminant scores dj for group j by the Bayesian classification rule based on (Equation 5.2). mj, mean vector of all objects in group j Sp1, inverse of the pooled covariance matrix (Equation 5.3) x, object vector (to be classified) defined by m variables Pj, prior probability of group j. 

One way to develop an in silica tool to predictive promiscuity is to apply a NB classifier for modeling, a technique that compares the frequencies of features between selective and promiscuous sets of compounds. Bayesian classification was applied in many studies and was recently compared to other machine-learning techniques [26, 27, 43, 51, 52]. 

Table 12.3 Internal cross-validation statistics for tiERG Bayesian classification model.

Hasegawa K, Funatsu K. Bayesian classification of cytochrome P450 3A4 substrates/non-substrates and color mapping for chemical interpretation. J Comput Aided Chem 2010 11 19-24. 

A) The k-nearest neighbor (KNN) method B) SIMCA method C) Quadratic Bayesian classification D) Linear Bayesian classification E) ALLOC method... 

Bhargava, R. et al (2006) High throughput assessment of cells and tissues Bayesian classification of spectral metrics from infrared vibrational spectroscopic imaging data. Biochim. Biophys. Acta, 1758, 830-845. 

L. S0nneland, P. Tennebo, T. Gehrmaim, and 0. Yrke (1994) 3D model-based Bayesian classification. Extended Abstr., Eur. Assoc. Expl. Geophys. 

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