Dmitrii Polshakov

Novel nanoscale organic materials for optimal photovoltaic functions.

Dmitrii A. Polshakov, Yongye Liang, S. Xiao, 2006 .

Quantitative Structure–Activity Relationship Machine Learning Models and their Applications for Identifying Viral 3CLpro- and RdRp-Targeting Compounds as Potential Therapeutics for COVID-19 and Related Viral Infections

Dmitrii A. Polshakov, Dmitrii Polshakov, Yingzhu Li, 2020, ACS omega.

MotifMiner + + : A High-Performance Data Mining Toolkit for Discovering Biomolecular SubStructures . ( Extended Abstract )

Dmitrii A. Polshakov, Chao Ching Wang, S. Parthasarathy, 2022 .

A study of 2-azido-3,5-dichlorobiphenyl by nano- and picosecond laser flash photolysis and computational methods

Dmitrii A. Polshakov, Dmitrii Polshakov, N. Gritsan, 2005, Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology.

Potential Therapeutic Agents and Associated Bioassay Data for COVID-19 and Related Human Coronavirus Infections

Dmitrii A. Polshakov, Dmitrii Polshakov, Cynthia Liu, 2020, ACS pharmacology & translational science.

Solvent reorganization controls the rate of proton transfer from neat alcohol solvents to singlet diphenylcarbene.

Dmitrii Polshakov, B. Kohler, J. Peón, 2002, Journal of the American Chemical Society.

Impact of Chemist-In-The-Loop Molecular Representations on Machine Learning Outcomes

Dmitrii A. Polshakov, Alpha A Lee, Todd J Wills, 2020, J. Chem. Inf. Model..