Aditya Sonpal
North Carolina State University(US)
Publications by Year
Research Areas
Machine Learning in Materials Science, Computational Drug Discovery Methods, Scientific Computing and Data Management, Various Chemistry Research Topics, History and advancements in chemistry
Most-Cited Works
- → Metrics for Benchmarking and Uncertainty Quantification: Quality, Applicability, and Best Practices for Machine Learning in Chemistry(2021)65 cited
- → ChemML : A machine learning and informatics program package for the analysis, mining, and modeling of chemical and materials data(2020)63 cited
- → A deep neural network model for packing density predictions and its application in the study of 1.5 million organic molecules(2019)48 cited
- → ChemML: A Machine Learning and Informatics Program Package for the Analysis, Mining, and Modeling of Chemical and Materials Data(2019)21 cited
- PREDICTING MELTING POINTS OF DEEP EUTECTIC SOLVENTS(2018)
- → Benchmarking Machine Learning Descriptors for Crystals(2022)3 cited
- → Design of organic materials with tailored optical properties: Predicting quantum-chemical polarizabilities and derived quantities(2022)1 cited