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Quantitative Structure-Property Relationship Modeling of Electronic Properties of Graphene Using Atomic Radial Distribution Function Scores., , and . Journal of Chemical Information and Modeling, 55 (12): 2500-2506 (2015)Useful equations for modeling the relative stability of common nanoparticle morphologies.. Comput. Phys. Commun., 182 (1): 11-13 (2011)The impact of domain-driven and data-driven feature selection on the inverse design of nanoparticle catalysts., , and . J. Comput. Sci., (2022)Online meta-learned gradient norms for active learning in science and technology., , and . Mach. Learn. Sci. Technol., 5 (1): 15041 (March 2024)Shapley Based Residual Decomposition for Instance Analysis., and . ICML, volume 202 of Proceedings of Machine Learning Research, page 21375-21387. PMLR, (2023)On reverse Monte Carlo constraints and model reproduction., , , and . J. Comput. Chem., 38 (17): 1547-1551 (2017)Diverse Explanations from Data-driven and Domain-driven Perspectives for Machine Learning Models., and . CoRR, (2024)Exploring the cloud of feature interaction scores in a Rashomon set., , , and . CoRR, (2023)Explainable discovery of disease biomarkers: The case of ovarian cancer to illustrate the best practice in machine learning and Shapley analysis., , , , , and . J. Biomed. Informatics, (May 2023)Variance Tolerance Factors For Interpreting All Neural Networks., and . IJCNN, page 1-9. IEEE, (2023)