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Convolutional Embedding of Attributed Molecular Graphs for Physical Property Prediction., , , , and . J. Chem. Inf. Model., 57 (8): 1757-1772 (August 2017)Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation., , , , , , , , , and 4 other author(s). J. Chem. Inf. Model., 61 (6): 2686-2696 (2021)Group Contribution and Machine Learning Approaches to Predict Abraham Solute Parameters, Solvation Free Energy, and Solvation Enthalpy., , , , , and . J. Chem. Inf. Model., 62 (3): 433-446 (2022)Chemprop: A Machine Learning Package for Chemical Property Prediction., , , , , , , , and . J. Chem. Inf. Model., 64 (1): 9-17 (January 2024)RMG Database for Chemical Property Prediction., , , , , , , , , and 7 other author(s). J. Chem. Inf. Model., 62 (20): 4906-4915 (2022)Evaluating Scalable Uncertainty Estimation Methods for Deep Learning-Based Molecular Property Prediction., , , , and . J. Chem. Inf. Model., 60 (6): 2697-2717 (2020)Design and implementation of a next-generation software interface for on-the-fly quantum and force field calculations in automated reaction mechanism generation., and . Comput. Chem. Eng., (2013)On-the-fly pruning for rate-based reaction mechanism generation., , and . Comput. Chem. Eng., (2017)Predicting Critical Properties and Acentric Factors of Fluids Using Multitask Machine Learning., , , , and . J. Chem. Inf. Model., 63 (15): 4574-4588 (August 2023)SCScore: Synthetic Complexity Learned from a Reaction Corpus., , , and . J. Chem. Inf. Model., 58 (2): 252-261 (2018)