Computer predictions of molecules

摘要

A method for predicting a set of chemical, physical or biological features related to chemical substances or related to interactions of chemical substances including using at least 16 different individual prediction means, thereby providing an individual prediction of the set of features for each of the individual prediction means and predicting the set of features on the basis of combining the individual predictions, the combining being performed in such a manner that the combined prediction is more accurate on a test set than substantially any of the predictions of the individual prediction means.