Status: Graduate Student
Major(s): Physical Chemistry
Area(s) of Study: Machine Learning in Chemistry, Fragmentation Methods, CAD of Fluorescent Materials
Contact: alecsanc@iu.edu
"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