Dmitrii Polshakov

Solvent Reorganization Controls the Rate of Proton Transfer from Neat Alcohol Solvents to Singlet Diphenylcarbene

Jörge Peón, Dmitrii Polshakov, Bern Kohler · Journal of the American Chemical Society · 2002 · 71 citations

Natural Sciences, Chemistry, Physics +17

Discovering frequent topological structures from graph datasets

Ruoming Jin, C. Wang, Dmitrii Polshakov et al. · 2005 · 54 citations

Computing, Bioinformatics, Data Science +14

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

Julian Ivanov, Dmitrii Polshakov, Junko Kato-Weinstein et al. · ACS Omega · 2020 · 53 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +15

Photoaffinity Labeling with 8-Azidoadenosine and Its Derivatives:  Chemistry of Closed and Opened Adenosine Diazaquinodimethanes

Dmitrii Polshakov, Saroj Rai, R. Marshall Wilson et al. · Biochemistry · 2005 · 21 citations

Natural Sciences, Biochemistry, Chemistry +13

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

Todd J. Wills, Dmitrii Polshakov, Matthew C. Robinson et al. · Journal of Chemical Information and Modeling · 2020 · 20 citations

Natural Sciences, Chemistry, Computational Chemistry +12