Search Results - "Rudik, A. V."

Chemical named entity recognition in the texts of scientific publications using the naïve Bayes classifier approach by Tarasova, O. A., Rudik, A. V., Biziukova, N. Yu, Filimonov, D. A., Poroikov, V. V.

“…Motivation Application of chemical named entity recognition (CNER) algorithms allows retrieval of information from texts about chemical compound identifiers…”
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Drug-drug interaction prediction using PASS by Dmitriev, A.V., Filimonov, D.A., Rudik, A.V., Pogodin, P.V., Karasev, D.A., Lagunin, A.A., Poroikov, V.V.

“…Simultaneous use of the drugs may lead to undesirable Drug-Drug Interactions (DDIs) in the human body. Many DDIs are associated with changes in drug metabolism…”
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PASS-based prediction of metabolites detection in biological systems by Rudik, A.V., Dmitriev, A.V., Lagunin, A.A., Filimonov, D.A., Poroikov, V.V.

“…Metabolite identification is an essential part of the drug discovery and development process. Experimental methods allow identifying metabolites and estimating…”
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Prediction of the Biological Activity Spectra of Organic Compounds Using the Pass Online Web Resource by Filimonov, D. A., Lagunin, A. A., Gloriozova, T. A., Rudik, A. V., Druzhilovskii, D. S., Pogodin, P. V., Poroikov, V. V.

“…The freely accessible web resource PASS Online is presented. This resource is designed for the prediction of the biological activity spectra of organic…”
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Computer-aided prediction of biological activity spectra for organic compounds: the possibilities and limitations by Poroikov, V. V., Filimonov, D. A., Gloriozova, T. A., Lagunin, A. A., Druzhilovskiy, D. S., Rudik, A. V., Stolbov, L. A., Dmitriev, A. V., Tarasova, O. A., Ivanov, S. M., Pogodin, P. V.

“…We describe the current version of the PASS program for prediction of biological activity spectra of organic compounds based on analysis of structure—activity…”
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BC CLC-Pred: a freely available web-application for quantitative and qualitative predictions of substance cytotoxicity in relation to human breast cancer cell lines by Lagunin, A.A., Sezganova, A.S., Muraviova, E.S., Rudik, A.V., Filimonov, D.A.

“…In silico prediction of cell line cytotoxicity considerably decreases time and financial costs during drug development of new antineoplastic agents. (Q)SAR…”
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MDM-Pred: a freely available web application for predicting the metabolism of drug-like compounds by the gut microbiota by Kolodnitsky, A.S., Ionov, N.S., Rudik, A.V., Lagunin, A.A., Filimonov, D.A., Poroikov, V.V.

“…The human gut microbiota (HGM) comprises a complex population of microorganisms that significantly affect human health, including their influence on…”
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Computational platform Way2Drug: from the prediction of biological activity to drug repurposing by Druzhilovskiy, D. S., Rudik, A. V., Filimonov, D. A., Gloriozova, T. A., Lagunin, A. A., Dmitriev, A. V., Pogodin, P. V., Dubovskaya, V. I., Ivanov, S. M., Tarasova, O. A., Bezhentsev, V. M., Murtazalieva, K. A., Semin, M. I., Maiorov, I. S., Gaur, A. S., Sastry, G. N., Poroikov, V. V.

“…The Way2Drug informational-computational platform (www.way2drug.com/dr) provides access to the data on drugs approved for medicinal use in the USA and Russian…”
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In Silico Estimation of the Safety of Pharmacologically Active Substances Using Machine Learning Methods: A Review by Poroikov, V. V., Dmitriev, A. V., Druzhilovskiy, D. S., Ivanov, S. M., Lagunin, A. A., Pogodin, P. V., Rudik, A. V., Savosina, P. I., Tarasova, O.  A., Filimonov, D. A.

“…Scientific relevance. Currently, machine learning (ML) methods are widely used in the research and development of new pharmaceuticals. ML methods are…”
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Prediction of metabolites of epoxidation reaction in MetaTox by Rudik, A. V., Dmitriev, A. V., Bezhentsev, V. M., Lagunin, A. A., Filimonov, D. A., Poroikov, V. V.

“…Biotransformation is a process of the chemical modifications which may lead to the reactive metabolites, in particular the epoxides. Epoxide reactive…”
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Prediction of Metabolic Stability of Xenobiotics by the Pass and Gusar Programs by Korotkevich, E. I., Rudik, A. V., Dmitriev, A. V., Lagunin, A. A., Filimonov, D. A.

“…— Metabolic stability determines the susceptibility of compounds to biotransformation on the body. It is characterized by such parameters as half-life ( T 1/2…”
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Online resources for the prediction of biological activity of organic compounds by Druzhilovskiy, D. S., Rudik, A. V., Filimonov, D. A., Lagunin, A. A., Gloriozova, T. A., Poroikov, V. V.

“…Online resources (PASS Online, SuperPred, SwissTargetPrediction and DRAR-CPI) for the prediction of biological activity of organic compounds from their…”
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Automatic Recognition of Chemical Entity Mentions in Texts of Scientific Publications by Biziukova, N. Yu, Tarasova, O. A., Rudik, A. V., Filimonov, D. A., Poroikov, V. V.

“…— The huge space of experimental data on biological and chemical objects and their interactions contributes to the rapid growth of scientific publications…”
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Computer-Aided Xenobiotic Toxicity Prediction Taking into Account their Metabolism in the Human Body by Rudik, A. V., Dmitriev, A. V., Lagunin, A. A., Ivanov, S. M., Filimonov, D. A., Poroikov, V. V.

“…— Most xenobiotics undergo metabolic conversions in the human body. The biological activity, toxicity, and other properties of such metabolites may…”
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Computerized Prediction, Synthesis, and Antimicrobial Activity of New Amino-Acid Derivatives of 2-Chloro-N-(9,10-Dioxo-9,10-Dihydroanthracen-1-Yl)Acetamide by Zvarich, V. I., Stasevich, M. V., Stan’ko, O. V., Komarovskaya-Porokhnyavets, E. Z., Poroikov, V. V., Rudik, A. V., Lagunin, A. A., Vovk, M. V., Novikov, V. P.

“…Interaction of 2-chloro-N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)acetamide with α-, β- and ω-amino acids was used to synthesize new amino-acid derivatives of…”
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Capacities of computer evaluation of hidden potential of phytochemicals of medicinal plants of the traditional Indian Ayurvedic medicine by Lagunin, A. A., Druzhilovsky, D. S., Rudik, A. V., Filimonov, D. A., Gawande, D., Suresh, K., Goel, R., Poroikov, V. V.

“…Applicability of our computer programs PASS and PharmaExpert for prediction of biological activity spectra of rather complex and structurally diverse…”
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Computer evaluation of hidden potential of phytochemicals of medicinal plants of the traditional Indian ayurvedic medicine by Lagunin, A A, Druzhilovsky, D S, Rudik, A V, Filimonov, D A, Gawande, D, Suresh, K, Goel, R, Poroikov, V V

“…Applicability of our computer programs PASS and PharmaExpert to prediction of biological activity spectra of rather complex and structurally diverse…”
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Computer Assessment of the Xenobiotic Metabolites Formation’s Probability in the Human Body by Filimonov, D. A., Rudik, A. V., Dmitriev, A. V., Lagunin, A. A., Poroikov, V. V.

“…—Xenobiotics undergo biotransformation in the human body and the resulting metabolites may greatly differ in their physical, chemical, and biological…”
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Morphological and morphometric rearrangements of adenohypophysis structural components in rats under conditions of experimental extracellular dehydration of middle degree by Hryntsova, N. B., Romanіyk, A. M., Bumeister, V. I., Karpenko, L. I., Ustyansky, O. A., Rudik, A. V.

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Xenobiotic toxicity prediction combined with xenobiotic metabolism prediction in the human body by Rudik, A V, Dmitriev, A V, Lagunin, A A, Ivanov, S M, Filimonov, D A, Poroikov, V V

“…The majority of xenobiotics undergo a number of chemical reactions known as biotransformation in human body. The biological activity, toxicity, and other…”
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