Figure 4.

Example of MTL and STL using the comprehensive‐modelling view of the OCHEM platform. The RMSE of models on the left‐side columns (MTL) provide a higher squared correlation coefficient, R², than models developed for each analysed property regardless of the descriptor set or method used. The models developed using DEEPCHEM and ChemChainer are based on chemical graphs. The values in parentheses indicate the average value or R² for each analysis. ASNN – Associative Neural Networks;6 DNN – Deep Neural Network;16 DAG – Directed Acyclic Graphs;43 TEXTCNN – Text Convolutional Neural Network;45 NFP – Neural Network Fingerprint;36 GGCN – Gated Graph Neural Network.41