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International Journal of Molecular Sciences|December 30, 2025
QSAR Modeling for Predicting IC<sub>50</sub> and GI<sub>50</sub> Values for Human Cell Lines Used in Toxicological StudiesAlexey A Lagunin, Elena Y Lisitsa, Anastasia V Rudik, et al.
Antioxidants (Basel, Switzerland)|February 27, 2026
Structural Descriptors and Antioxidant Activity Markers of 4-[4-(2-Aminoethoxy)benzyl]anilineDmitry A Filimonov, Alexander B Eresko, Nadezhda N Trubnikova, et al.
Journal of Chemical Information and Computer Sciences|January 28, 2003
PASS biological activity spectrum predictions in the enhanced open NCI database browserVladimir V Poroikov, Dmitrii A Filimonov, Wolf-Dietrich Ihlenfeldt, et al.
Journal of Medicinal Chemistry|July 11, 2003
Computer-aided selection of potential antihypertensive compounds with dual mechanism of actionAlexey A Lagunin, Oleg A Gomazkov, Dmitrii A Filimonov, et al.
Frontiers in Pharmacology|October 27, 2018
Comparison of Quantitative and Qualitative (Q)SAR Models Created for the Prediction of K<sub>i</sub> and IC<sub>50</sub> Values of Antitarget InhibitorsAlexey A Lagunin, Maria A Romanova, Anton D Zadorozhny, et al.
Plos One|January 26, 2018
CLC-Pred: A freely available web-service for in silico prediction of human cell line cytotoxicity for drug-like compoundsAlexey A Lagunin, Varvara I Dubovskaja, Anastasia V Rudik, et al.
Computer Methods and Programs in Biomedicine|February 11, 2026
A computational approach for classification of HIV drug resistance based on the self-consistent extreme classifierL A Stolbov, A V Rudik, E A Stolbova, et al.
Cureus|September 9, 2025
Simulation-Based Training in Aortic Aneurysm Surgery: Toward a New Educational StandardAbubakar I Sidik, Maxim L Khavandeev, Vladislav Dontsov, et al.
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