Status: Graduate Student
Major(s): Physical Chemistry
Area(s) of Study: Machine Learning in Chemistry, Fragmentation Methods, CAD of Fluorescent Materials
"Leveraging DFT and Molecular Fragmentation for Chemically Accurate pKa Prediction Using Machine Learning”, A. J. Sanchez, S. Maier and K. Raghavachari, J. Chem. Inf. Mod. (2024). https://doi.org/10.1021/acs.jcim.3c01923
"Development and Assessment of a ChemInformatics Model for Accurate pKa Predictions in Aqueous Medium” A. J. Sanchez and K. Raghavachari, Theor. Chem. Acc. 142:86 (1-10) (2023). https://doi.org/10.1007/s00214-023-03024-6