Works by Muratov, Eugene N.

Results: 27

QSAR-Driven Design and Discovery of Novel Compounds With Antiplasmodial and Transmission Blocking Activities.

Published in:

Frontiers in Pharmacology, 2018, p. 1, doi. 10.3389/fphar.2018.00146

By:

Lima, Marilia N. N.;
Melo-Filho, Cleber C.;
Cassiano, Gustavo C.;
Neves, Bruno J.;
Alves, Vinicius M.;
Braga, Rodolpho C.;
Cravo, Pedro V. L.;
Muratov, Eugene N.;
Calit, Juliana;
Bargieri, Daniel Y.;
Costa, Fabio T. M.;
Andrade, Carolina H.

Publication type:

Article

MolPredictX: Online Biological Activity Predictions by Machine Learning Models.

Published in:

Molecular Informatics, 2022, v. 41, n. 12, p. 1, doi. 10.1002/minf.202200133

By:

Tullius Scotti, Marcus;
Herrera‐Acevedo, Chonny;
Barros de Menezes, Renata Priscila;
Martin, Holli‐Joi;
Muratov, Eugene N.;
Ítalo de Souza Silva, Ávilla;
Faustino Albuquerque, Emmanuella;
Ferreira Calado, Lucas;
Coy‐Barrera, Ericsson;
Scotti., Luciana

Publication type:

Article

QSAR Modeling of SARS‐CoV M<sup>pro</sup> Inhibitors Identifies Sufugolix, Cenicriviroc, Proglumetacin, and other Drugs as Candidates for Repurposing against SARS‐CoV‐2.

Published in:

Molecular Informatics, 2021, v. 40, n. 1, p. 1, doi. 10.1002/minf.202000113

By:

Alves, Vinicius M.;
Bobrowski, Tesia;
Melo‐Filho, Cleber C.;
Korn, Daniel;
Auerbach, Scott;
Schmitt, Charles;
Muratov, Eugene N.;
Tropsha, Alexander

Publication type:

Article

Universal Approach for Structural Interpretation of QSAR/QSPR Models.

Published in:

Molecular Informatics, 2013, v. 32, n. 9/10, p. 843, doi. 10.1002/minf.201300029

By:

Polishchuk, Pavel G.;
Kuz'min, Victor E.;
Artemenko, Anatoly G.;
Muratov, Eugene N.

Publication type:

Article

Existing and Developing Approaches for QSAR Analysis of Mixtures.

Published in:

Molecular Informatics, 2012, v. 31, n. 3/4, p. 202, doi. 10.1002/minf.201100129

By:

Muratov, Eugene N.;
Varlamova, Ekaterina V.;
Artemenko, Anatoly G.;
Polishchuk, Pavel G.;
Kuz'min, Victor E.

Publication type:

Article

Application of Random Forest and Multiple Linear Regression Techniques to QSPR Prediction of an Aqueous Solubility for Military Compounds.

Published in:

Molecular Informatics, 2010, v. 29, n. 5, p. 394, doi. 10.1002/minf.201000001

By:

Kovdienko, Nikolay A.;
Polishchuk, Pavel G.;
Muratov, Eugene N.;
Artemenko, Anatoly G.;
Kuz'min, Victor E.;
Gorb, Leonid;
Hill, Frances;
Leszczynski, Jerzy

Publication type:

Article

ExEmPLAR (Extracting, Exploring, and Embedding Pathways Leading to Actionable Research): a user-friendly interface for knowledge graph mining.

Published in:

2024

By:

Beasley, Jon-Michael T;
Korn, Daniel R;
Tucker, Nyssa N;
Alves, Erick T M;
Muratov, Eugene N;
Bizon, Chris;
Tropsha, Alexander

Publication type:

Case Study

Modernization of Enoxaparin Molecular Weight Determination Using Homogeneous Standards.

Published in:

Pharmaceuticals (14248247), 2017, v. 10, n. 3, p. 66, doi. 10.3390/ph10030066

By:

Arnold, Katelyn M.;
Capuzzi, Stephen J.;
Yongmei Xu;
Muratov, Eugene N.;
Carrick, Kevin;
Szajek, Anita Y.;
Tropsha, Alexander;
Jian Liu

Publication type:

Article

Natural Bioactive Products with Antioxidant Properties Useful in Neurodegenerative Diseases 2020.

Published in:

Oxidative Medicine & Cellular Longevity, 2021, p. 1, doi. 10.1155/2021/6262316

By:

Mendonça-Junior, Francisco Jaime Bezerra;
Scotti, Marcus Tullius;
Muratov, Eugene N.;
Scotti, Luciana;
Nayarisseri, Anuraj

Publication type:

Article

Four diterpenes identified in silico were isolated from Hyptidinae and demonstrated in vitro activity against Mycobacterium tuberculosis.

Published in:

Natural Product Research, 2023, v. 37, n. 6, p. 903, doi. 10.1080/14786419.2022.2096604

By:

Cavalcanti, Andreza Barbosa Silva;
Maia, Mayara dos Santos;
Figueiredo, Pedro Thiago Ramalho de;
Menezes, Renata Priscila Barros de;
Monteiro, Alex France Messias;
Meireles, Roseana Araújo Ramos;
Rodrigues, Gabriela Cristina Soares;
Rodrigues de Almeida Silva, Ana Rita;
Lins, Jociano da Silva;
Cordeiro, Laísa Vilar;
Junior, Valnês S. Rodrigues;
Castelo Branco, Ana Paula O. T.;
Agra, Maria de Fátima;
Sessions, Zoe L.;
Muratov, Eugene N.;
Scotti, Luciana;
Silva, Marcelo Sobral da;
Costa, Vicente Carlos de Oliveira;
Tavares, Josean Fechine;
Scotti, Marcus Tullius

Publication type:

Article

A Novel Machine Learning Model and a Web Portal for Predicting the Human Skin Sensitization Effects of Chemical Agents.

Published in:

Toxics, 2024, v. 12, n. 11, p. 803, doi. 10.3390/toxics12110803

By:

Scheufen Tieghi, Ricardo;
Moreira-Filho, José Teófilo;
Martin, Holli-Joi;
Wellnitz, James;
Otoch, Miguel Canamary;
Rath, Marielle;
Tropsha, Alexander;
Muratov, Eugene N.;
Kleinstreuer, Nicole

Publication type:

Article

The effects of characteristics of substituents on toxicity of the nitroaromatics: HiT QSAR study.

Published in:

Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 10, p. 747, doi. 10.1007/s10822-008-9211-x

By:

Kuz'min, Victor E.;
Muratov, Eugene N.;
Artemenko, Anatoly G.;
Gorb, Leonid;
Qasim, Mohammad;
Leszczynski, Jerzy

Publication type:

Article

PreS/MD: Predictor of Sensitization Hazard for Chemical Substances Released From Medical Devices.

Published in:

Toxicological Sciences, 2022, v. 189, n. 2, p. 250, doi. 10.1093/toxsci/kfac078

By:

Alves, Vinicius M;
Borba, Joyce V B;
Braga, Rodolpho C;
Korn, Daniel R;
Kleinstreuer, Nicole;
Causey, Kevin;
Tropsha, Alexander;
Rua, Diego;
Muratov, Eugene N

Publication type:

Article

Computer-Aided Discovery of New Solubility-Enhancing Drug Delivery System.

Published in:

Biomolecules (2218-273X), 2020, v. 10, n. 6, p. 913, doi. 10.3390/biom10060913

By:

Mizera, Mikołaj;
Muratov, Eugene N.;
Alves, Vinicius M.;
Tropsha, Alexander;
Cielecka-Piontek, Judyta

Publication type:

Article

One size does not fit all: revising traditional paradigms for assessing accuracy of QSAR models used for virtual screening.

Published in:

Journal of Cheminformatics, 2025, v. 17, n. 1, p. 1, doi. 10.1186/s13321-025-00948-y

By:

Wellnitz, James;
Jain, Sankalp;
Hochuli, Joshua E.;
Maxfield, Travis;
Muratov, Eugene N.;
Tropsha, Alexander;
Zakharov, Alexey V.

Publication type:

Article

STopTox: An in Silico Alternative to Animal Testing for Acute Systemic and Topical Toxicity.

Published in:

Environmental Health Perspectives, 2022, v. 130, n. 2, p. 027012-1, doi. 10.1289/EHP9341

By:

Borba, Joyce V. B.;
Alves, Vinicius M.;
Braga, Rodolpho C.;
Korn, Daniel R.;
Overdahl, Kirsten;
Silva, Arthur C.;
Hall, Steven U. S.;
Overdahl, Erik;
Kleinstreuer, Nicole;
Strickland, Judy;
Allen, David;
Andrade, Carolina Horta;
Muratov, Eugene N.;
Tropsha, Alexander

Publication type:

Article

Computationally-guided drug repurposing enables the discovery of kinase targets and inhibitors as new schistosomicidal agents.

Published in:

PLoS Computational Biology, 2018, v. 14, n. 10, p. 1, doi. 10.1371/journal.pcbi.1006515

By:

Giuliani, Sandra;
Silva, Arthur C.;
Borba, Joyce V. V. B.;
Ramos, Pablo I. P.;
Paveley, Ross A.;
Muratov, Eugene N.;
Andrade, Carolina Horta;
Furnham, Nicholas

Publication type:

Article

Curated Data In — Trustworthy In Silico Models Out: The Impact of Data Quality on the Reliability of Artificial Intelligence Models as Alternatives to Animal Testing.

Published in:

Alternatives to Laboratory Animals, 2021, v. 49, n. 3, p. 73, doi. 10.1177/02611929211029635

By:

Alves, Vinicius M.;
Auerbach, Scott S.;
Kleinstreuer, Nicole;
Rooney, John P.;
Muratov, Eugene N.;
Rusyn, Ivan;
Tropsha, Alexander;
Schmitt, Charles

Publication type:

Article

Deep Learning-driven research for drug discovery: Tackling Malaria.

Published in:

PLoS Computational Biology, 2020, v. 16, n. 2, p. 1, doi. 10.1371/journal.pcbi.1007025

By:

Neves, Bruno J.;
Braga, Rodolpho C.;
Alves, Vinicius M.;
Lima, Marília N. N.;
Cassiano, Gustavo C.;
Muratov, Eugene N.;
Costa, Fabio T. M.;
Andrade, Carolina Horta

Publication type:

Article

Modeling interactions between Heparan sulfate and proteins based on the Heparan sulfate microarray analysis.

Published in:

Glycobiology, 2024, v. 34, n. 7, p. 1, doi. 10.1093/glycob/cwae039

By:

Melo-Filho, Cleber C;
Su, Guowei;
Liu, Kevin;
Muratov, Eugene N;
Tropsha, Alexander;
Liu, Jian

Publication type:

Article

Selene-Ethylenelacticamides and N -Aryl-Propanamides as Broad-Spectrum Leishmanicidal Agents.

Published in:

Pathogens, 2023, v. 12, n. 1, p. 136, doi. 10.3390/pathogens12010136

By:

de Sousa, Natália Ferreira;
da Silva Souza, Helivaldo Diógenes;
de Menezes, Renata Priscila Barros;
da Silva Alves, Francinara;
Acevedo, Chonny Alexander Herrera;
de Lima Nunes, Thaís Amanda;
Sessions, Zoe L.;
Scotti, Luciana;
Muratov, Eugene N.;
Mendonça-Junior, Francisco Jaime Bezerra;
da Franca Rodrigues, Klinger Antônio;
de Athayde Filho, Petrônio Filgueiras;
Scotti, Marcus Tullius

Publication type:

Article

QSAR-Based Virtual Screening: Advances and Applications in Drug Discovery.

Published in:

Frontiers in Pharmacology, 2018, p. N.PAG, doi. 10.3389/fphar.2018.01275

By:

Neves, Bruno J.;
Braga, Rodolpho C.;
Melo-Filho, Cleber C.;
Moreira-Filho, José Teófilo;
Muratov, Eugene N.;
Andrade, Carolina Horta

Publication type:

Article

AI-driven discovery of synergistic drug combinations against pancreatic cancer.

Published in:

Nature Communications, 2025, v. 16, n. 1, p. 1, doi. 10.1038/s41467-025-56818-6

By:

Pourmousa, Mohsen;
Jain, Sankalp;
Barnaeva, Elena;
Jin, Wengong;
Hochuli, Joshua;
Itkin, Zina;
Maxfield, Travis;
Melo-Filho, Cleber;
Thieme, Andrew;
Wilson, Kelli;
Klumpp-Thomas, Carleen;
Michael, Sam;
Southall, Noel;
Jaakkola, Tommi;
Muratov, Eugene N.;
Barzilay, Regina;
Tropsha, Alexander;
Ferrer, Marc;
Zakharov, Alexey V.

Publication type:

Article

AI-driven discovery of synergistic drug combinations against pancreatic cancer.

Published in:

Nature Communications, 2025, v. 16, n. 1, p. 1, doi. 10.1038/s41467-025-56818-6

By:

Pourmousa, Mohsen;
Jain, Sankalp;
Barnaeva, Elena;
Jin, Wengong;
Hochuli, Joshua;
Itkin, Zina;
Maxfield, Travis;
Melo-Filho, Cleber;
Thieme, Andrew;
Wilson, Kelli;
Klumpp-Thomas, Carleen;
Michael, Sam;
Southall, Noel;
Jaakkola, Tommi;
Muratov, Eugene N.;
Barzilay, Regina;
Tropsha, Alexander;
Ferrer, Marc;
Zakharov, Alexey V.

Publication type:

Article

Natural Products from Annonaceae as Potential Antichagasic Agents.

Published in:

ChemMedChem, 2022, v. 17, n. 15, p. 1, doi. 10.1002/cmdc.202200196

By:

Barros de Menezes, Renata Priscila;
Fechine Tavares, Josean;
Kato, Massuo Jorge;
da Rocha Coelho, Francisco Alex;
Sousa dos Santos, Airton Lucas;
da Franca Rodrigues, Klinger Antonio;
Sessions, Zoe L.;
Muratov, Eugene N.;
Scotti, Luciana;
Tullius Scotti, Marcus

Publication type:

Article

Discovery of Alternative Chemotherapy Options for Leishmaniasis through Computational Studies of Asteraceae.

Published in:

ChemMedChem, 2021, v. 16, n. 8, p. 1234, doi. 10.1002/cmdc.202000862

By:

Herrera‐Acevedo, Chonny;
Perdomo‐Madrigal, Camilo;
Muratov, Eugene N.;
Scotti, Luciana;
Scotti, Marcus Tullius

Publication type:

Article

Chalcone Derivatives: Promising Starting Points for Drug Design.

Published in:

Molecules, 2017, v. 22, n. 8, p. 1210, doi. 10.3390/molecules22081210

By:

Gomes, Marcelo N.;
Muratov, Eugene N.;
Pereira, Maristela;
Peixoto, Josana C.;
Rosseto, Lucimar P.;
Cravo, Pedro V. L.;
Andrade, Carolina H.;
Neves, Bruno J.

Publication type:

Article