Search Results - "Artemenko, Anatoly"

Application of Random Forest Approach to QSAR Prediction of Aquatic Toxicity by Polishchuk, Pavel G, Muratov, Eugene N, Artemenko, Anatoly G, Kolumbin, Oleg G, Muratov, Nail N, Kuz’min, Victor E

“…This work is devoted to the application of the random forest approach to QSAR analysis of aquatic toxicity of chemical compounds tested on Tetrahymena…”
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Existing and Developing Approaches for QSAR Analysis of Mixtures by Muratov, Eugene N., Varlamova, Ekaterina V., Artemenko, Anatoly G., Polishchuk, Pavel G., Kuz'min, Victor E.

“…This review is devoted to the critical analysis of advantages and disadvantages of existing mixture descriptors and their usage in various QSAR/QSPR tasks. We…”
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Simplex representation of molecular structure as universal QSAR/QSPR tool by Kuz’min, Victor, Artemenko, Anatoly, Ognichenko, Luidmyla, Hromov, Alexander, Kosinskaya, Anna, Stelmakh, Sergij, Sessions, Zoe L., Muratov, Eugene N.

“…We review the development and application of the Simplex approach for the solution of various QSAR/QSPR problems. The general concept of the simplex method and…”
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Quantitative structure-activity relationship modelling of influenza M2 ion channels inhibitors by Stankova, Ivanka, Chayrov, Radoslav, Schmidtke, Michaela, Danalev, Dancho, Ognichenko, Liudmila, Artemenko, Anatoly, Shapkin, Valery, Kuz'min, Victor

“…A series of adamantane derivatives (rimantadine and amantadine) incorporating amino-acid residues are investigated by simplex representation of molecular…”
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Interpretation of QSAR Models Based on Random Forest Methods by Kuz'min, Victor E., Polishchuk, Pavel G., Artemenko, Anatoly G., Andronati, Sergey A.

“…A new algorithm for the interpretation of Random Forest models has been developed. It allows to calculate the contribution of each descriptor to the calculated…”
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Universal Approach for Structural Interpretation of QSAR/QSPR Models by Polishchuk, Pavel G., Kuz'min, Victor E., Artemenko, Anatoly G., Muratov, Eugene N.

“…In this paper we offer a novel approach for the structural interpretation of QSAR models. The major advantage of our developed methodology is its universality,…”
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Quantitative Structure−Activity Relationship Studies of [(Biphenyloxy)propyl]isoxazole Derivatives. Inhibitors of Human Rhinovirus 2 Replication by Kuz'min, Victor E, Artemenko, Anatoly G, Muratov, Eugene N, Volineckaya, Ingrid L, Makarov, Vadim A, Riabova, Olga B, Wutzler, Peter, Schmidtke, Michaela

“…The 50% cytotoxic concentration (CC50) in HeLa cells, the 50% inhibitory concentration (IC50) against human rhinovirus 2 (HRV-2), and the selectivity index (SI…”
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The effects of characteristics of substituents on toxicity of the nitroaromatics: HiT QSAR study by Kuz’min, Victor E., Muratov, Eugene N., Artemenko, Anatoly G., Gorb, Leonid, Qasim, Mohammad, Leszczynski, Jerzy

“…The present study applies the Hierarchical Technology for Quantitative Structure–Activity Relationships (HiT QSAR) for (i) evaluation of the influence of the…”
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Application of Random Forest and Multiple Linear Regression Techniques to QSPR Prediction of an Aqueous Solubility for Military Compounds by Kovdienko, Nikolay A., Polishchuk, Pavel G., Muratov , Eugene N., Artemenko, Anatoly G., Kuz'min, Victor E., Gorb, Leonid, Hill, Frances, Leszczynski , Jerzy

“…The relationship between the aqueous solubility of more than two thousand eight hundred organic compounds and their structures was investigated using a QSPR…”
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Application of Quantum Chemical Approximations to Environmental Problems: Prediction of Water Solubility for Nitro Compounds by Kholod, Yana A, Muratov, Eugene N, Gorb, Leonid G, Hill, Frances C, Artemenko, Anatoly G, Kuz’min, Victor E, Qasim, Mohammad, Leszczynski, Jerzy

“…Water solubility values for 27 nitro compounds with experimentally measured values were computed using the conductor-like screening model for real solvent…”
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New QSPR equations for prediction of aqueous solubility for military compounds by Muratov, Eugene N., Kuz’min, Victor E., Artemenko, Anatoly G., Kovdienko, Nikolay A., Gorb, Leonid, Hill, Frances, Leszczynski, Jerzy

“…The development of a new quantitative structure–property relationship (QSPR) model to predict aqueous solubility ( S w) accurately for compounds of military…”
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Per aspera ad astra: application of Simplex QSAR approach in antiviral research by Muratov, Eugene N, Artemenko, Anatoly G, Varlamova, Ekaterina V, Polischuk, Pavel G, Lozitsky, Victor P, Fedchuk, Alla S, Lozitska, Regina L, Gridina, Tat'yana L, Koroleva, Ludmila S, Sil'nikov, Vladimir N, Galabov, Angel S, Makarov, Vadim A, Riabova, Olga B, Wutzler, Peter, Schmidtke, Michaela, Kuz'min, Victor E

“…This review explores the application of the Simplex representation of molecular structure (SiRMS) QSAR approach in antiviral research. We provide an…”
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QSPR Prediction of Lipophilicity for Organic Compounds Using Random Forest Technique on the Basis of Simplex Representation of Molecular Structure by Ognichenko, Liudmyla N., Kuz'min, Victor E., Gorb, Leonid, Hill, Frances C., Artemenko, Anatoly G., Polischuk, Pavel G., Leszczynski, Jerzy

“…The relationship between the octanol‐water partition coefficient for more than twelve thousand organic compounds and their structures was investigated using a…”
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Hierarchic system of QSAR models (1D-4D) on the base of simplex representation of molecular structure by Kuz'min, Victor E, Artemenko, Anatoly G, Polischuk, Pavel G, Muratov, Eugene N, Hromov, Alexander I, Liahovskiy, Anatoly V, Andronati, Sergey A, Makan, Svetlana Yu

“…In this work, a hierarchic system of QSAR models from 1D to 4D is considered on the basis of the simplex representation of molecular structure (SiRMS). The…”
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QSAR analysis of [(biphenyloxy)propyl]isoxazoles: agents against coxsackievirus B3 by Muratov, Eugene N, Varlamova, Ekaterina V, Artemenko, Anatoly G, Khristova, Tat'yana, Kuz'min, Victor E, Makarov, Vadim A, Riabova, Olga B, Wutzler, Peter, Schmidtke, Michaela

“…Antiviral drugs are urgently needed for the treatment of acute and chronic diseases caused by enteroviruses such as coxsackievirus B3 (CVB3). The main goal of…”
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The analysis of structure-anticancer and antiviral activity relationships for macrocyclic pyridinophanes and their analogues on the basis of 4D QSAR models (simplex representation of molecular structure) by Kuz'min, Victor E, Artemenko, Anatoly G, Lozitsky, Victor P, Muratov, Eugene N, Fedtchouk, Alla S, Dyachenko, Natalia S, Nosach, Lidiya N, Gridina, Tatiyana L, Shitikova, Larisa I, Mudrik, Liubov M, Mescheriakov, Aleksey K, Chelombitko, Vladislav A, Zheltvay, Andrey I, Vanden Eynde, Jean-Jaques

“…A new 4D-QSAR approach has been considered. For all investigated molecules the 3D structural models have been created and the set of conformers (fourth…”
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Novel enhanced applications of QSPR models: Temperature dependence of aqueous solubility by Klimenko, Kyrylo, Kuz'min, Victor, Ognichenko, Liudmila, Gorb, Leonid, Shukla, Manoj, Vinas, Natalia, Perkins, Edward, Polishchuk, Pavel, Artemenko, Anatoly, Leszczynski, Jerzy

“…A model developed to predict aqueous solubility at different temperatures has been proposed based on quantitative structure–property relationships (QSPR)…”
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Consensus QSAR Modeling of Phosphor‐Containing Chiral AChE Inhibitors by Kuz'min, Victor E., Muratov, Eugene N., Artemenko, Anatoly G., Varlamova, Ekaterina V., Gorb, Leonid, Wang, Jing, Leszczynski, Jerzy

“…In this article the Hierarchical QSAR technology (HiT QSAR) has been used for consensus QSAR modeling of Acetylcholinesterase (AChE) inhibition by various…”
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QSAR Analysis of the Effect of Metal Ions on the Peptidase Bacillus thuringiensis var. israelensis IMV B-7465 Activity by Artemenko, Anatoly, Dekina, Svetlana, Romanovska, Irina, Kuz'min, Victor

“…Background. The catalytic activity of enzymes, which is their most important characteristic, can change significantly under the influence of effectors, for…”
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QSAR-аналіз впливу іонів металів на активність пептидази Вacillus thuringiensis var. israelensis IMV B-7465 by Anatoly Artemenko, Svetlana Dekina, Irina Romanovska, Victor Kuz'min

“…Проблематика. Каталітична активність ензимів, що є їх найважливішою характеристикою, може суттєво змінюватися під впливом ефекторів, наприклад іонів металів, і…”
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