This category contains 6 nodes.
Generate QSAR models for a chosen property of a set of compounds, and apply the QSAR model to other compounds.
Choose structures to make predictions for and the model to apply.
Build a Bayes model from binary or continuous training data to predict the probability of a molecule at each activity level.
Test a previously built Bayes model
Build a multiple linear regression model based on variables derived from a PLS (Partial Least-Squares) analysis of a selection of properties for a […]
Test a previously built PLS (Partial Least-Squares) regression model
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