Fig. 10From: Machine learning models for hydrogen bond donor and acceptor strengths using large and diverse training data generated by first-principles interaction free energiesPerformances of the HBA final 151-dimensional combinatorial descriptor GPR model trained on the quantum chemically derived free energies on the HBA test set (a) and of the HBD final 115-dimensional combinatorial descriptor GPR model on the HBD test set (b). The color bars show the GPR variance estimates for the respective modelsBack to article page