Modeling
This category contains 8 nodes.
AutoQSAR Build Model
Generate QSAR models for a chosen property of a set of compounds, and apply the QSAR model to other compounds.
AutoQSAR Predict
Choose structures to make predictions for and the model to apply.
Bayes Classification Model Building
Build a Bayes model from binary or continuous training data to predict the probability of a molecule at each activity level.
Bayes Classification Prediction
Test a previously built Bayes model
DeepAutoQSAR Build
Build a new QSAR model using deepchem methods.
DeepAutoQSAR Predict
Load an exiting QSAR model to make predictions using deepchem methods.
PLS Model Building
Build a multiple linear regression model based on variables derived from a PLS (Partial Least-Squares) analysis of a selection of properties for a […]
PLS Prediction
Test a previously built PLS (Partial Least-Squares) regression model