Advancing molecular graphs with descriptors for the prediction of chemical reaction yields. - Dzvenymyra Yarish; Sofiya Garkot; Oleksandr O. Grygorenko; Dmytro S. Radchenko; Yurii S. Moroz; Oleksandr Gurbych (J. Comput. Chem., 2023)

Filling the Gap in LogP $$ LogP $$ and pK a $$ {pK}_a $$ Evaluation for Saturated Fluorine-Containing Derivatives With Machine Learning. - Oleksandr Gurbych; Petro Pavliuk; Dmytro Krasnienkov; Oleksandr Liashuk; Kostiantyn Melnykov; Oleksandr O. Grygorenko (J. Comput. Chem., 2025)

Machine Learning-Based Retention Time Prediction Tool for Routine LC-MS Data Analysis. - Sofiia A. Dymura; Oleksandr O. Viniichuk; Kostiantyn Melnykov; Dmytro S. Radchenko; Oleksandr O. Grygorenko (J. Chem. Inf. Model., 2025)