Figure 1.

A set of heat maps visualizing the values of evaluating parameters obtained in a) common-test set mode experiments and in b) various-test set mode experiments. Figure 1 presents recall, precision and MCC values obtained in the experiments. Columns of maps are referring to particular evaluating parameter, rows to particular target. Rows in maps correspond with different machine learning methods, whereas columns in maps refer to different training sets and use of various fingerprints for molecules representation.