J. Levatić

Not All Unlabeled Data Are Equal: Unlabeled Data Selection for Semi-Supervised QSAR Modeling with Large Chemical Repositories

Semi-supervised learning (SSL) is particularly attractive in domains where labels are expensive to obtain, while unlabeled examples are readily available. Quantitative Structure-Activity Relationship (QSAR) modeling, which predicts molecular biological activity from chemical structure, is one such domain. Obtaining act...