Search

3 results in Authors: Dmytro S. Radchenko

Theoretical and Computational Chemistry

A novel bottom-up approach to find lead-compounds in billion-sized libraries

Álvaro Serrano-Morrás, Andrea Bertran-Mostazo, Marina Miñarro-Lleonar, Arnau Comajuncosa-Creus, Adrià Cabello, Carme Labranya, Carmen Escudero, Tian Tian, Inna Khutorianska, Dmytro S. Radchenko, Yurii S. Moroz, Lucas Defelipe, David Ruiz-Carrillo, Maria Garcia-Alai, Robert Schmidt, Matthias Rarey, Patrick Aloy, Carles Galdeano, Jordi Juárez-Jiménez, Xavier Barril

Version 1 posted 06 January 2025

904

Downloads

Theoretical and Computational Chemistry

A Bag of Tricks for Automated De Novo Design of Molecules with the Desired Properties: Application to EGFR Inhibitor Discovery

Maria Korshunova, Niles Huang, Stephen Capuzzi, Dmytro S. Radchenko, Olena Savych, Yuriy S. Moroz, Carrow Wells, Timothy M. Willson, Alexander Tropsha, Olexandr Isayev

Version 1 posted 24 February 2021

1,216

Downloads

4

Citations

Analytical Chemistry

Machine Learning-Based Retention Time Prediction Tool for Routine LC-MS Data Analysis

Sofiia A. Dymura, Oleksandr O. Viniichuk, Kostiantyn P. Melnykov, Dmytro S. Radchenko, Oleksandr O. Grygorenko

Version 1 posted 10 March 2025

113

Downloads