Materials Cartography: Representing and Mining Materials Space Using Structural and Electronic Fingerprints
Isayev, Olexandr, Fourches, Denis, Muratov, Eugene N, Oses, Corey, Rasch, Kevin, Tropsha, Alexander, Curtarolo, Stefano
Published in Chemistry of materials (10.02.2015)
Published in Chemistry of materials (10.02.2015)
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Journal Article
QSAR without borders
Muratov, Eugene N, Bajorath, Jürgen, Sheridan, Robert P, Tetko, Igor V, Filimonov, Dmitry, Poroikov, Vladimir, Oprea, Tudor I, Baskin, Igor I, Varnek, Alexandre, Roitberg, Adrian, Isayev, Olexandr, Curtalolo, Stefano, Fourches, Denis, Cohen, Yoram, Aspuru-Guzik, Alan, Winkler, David A, Agrafiotis, Dimitris, Cherkasov, Artem, Tropsha, Alexander
Published in Chemical Society reviews (07.06.2020)
Published in Chemical Society reviews (07.06.2020)
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Journal Article
Chalcone Derivatives: Promising Starting Points for Drug Design
Gomes, Marcelo N, Muratov, Eugene N, Pereira, Maristela, Peixoto, Josana C, Rosseto, Lucimar P, Cravo, Pedro V L, Andrade, Carolina H, Neves, Bruno J
Published in Molecules (Basel, Switzerland) (25.07.2017)
Published in Molecules (Basel, Switzerland) (25.07.2017)
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Journal Article
Does Rational Selection of Training and Test Sets Improve the Outcome of QSAR Modeling?
Martin, Todd M, Harten, Paul, Young, Douglas M, Muratov, Eugene N, Golbraikh, Alexander, Zhu, Hao, Tropsha, Alexander
Published in Journal of chemical information and modeling (22.10.2012)
Published in Journal of chemical information and modeling (22.10.2012)
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Journal Article
Pred-Skin: A Web Portal for Accurate Prediction of Human Skin Sensitizers
Borba, Joyce V. B, Braga, Rodolpho C, Alves, Vinicius M, Muratov, Eugene N, Kleinstreuer, Nicole, Tropsha, Alexander, Andrade, Carolina Horta
Published in Chemical research in toxicology (15.02.2021)
Published in Chemical research in toxicology (15.02.2021)
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Journal Article
Deep Learning-driven research for drug discovery: Tackling Malaria
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
Published in PLoS computational biology (18.02.2020)
Published in PLoS computational biology (18.02.2020)
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Journal Article
Alarms about structural alerts
Alves, Vinicius, Muratov, Eugene, Capuzzi, Stephen, Politi, Regina, Low, Yen, Braga, Rodolpho, Zakharov, Alexey V, Sedykh, Alexander, Mokshyna, Elena, Farag, Sherif, Andrade, Carolina, Kuz'min, Victor, Fourches, Denis, Tropsha, Alexander
Published in Green chemistry : an international journal and green chemistry resource : GC (01.01.2016)
Published in Green chemistry : an international journal and green chemistry resource : GC (01.01.2016)
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Journal Article
Multi-Descriptor Read Across (MuDRA): A Simple and Transparent Approach for Developing Accurate Quantitative Structure–Activity Relationship Models
Alves, Vinicius M, Golbraikh, Alexander, Capuzzi, Stephen J, Liu, Kammy, Lam, Wai In, Korn, Daniel Robert, Pozefsky, Diane, Andrade, Carolina Horta, Muratov, Eugene N, Tropsha, Alexander
Published in Journal of chemical information and modeling (25.06.2018)
Published in Journal of chemical information and modeling (25.06.2018)
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Journal Article
Discovery of new potent hits against intracellular Trypanosoma cruzi by QSAR-based virtual screening
Melo-Filho, Cleber C., Braga, Rodolpho C., Muratov, Eugene N., Franco, Caio Haddad, Moraes, Carolina B., Freitas-Junior, Lucio H., Andrade, Carolina Horta
Published in European journal of medicinal chemistry (01.02.2019)
Published in European journal of medicinal chemistry (01.02.2019)
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Journal Article
New Experimental and Computational Tools for Drug Discovery - Part-VIII
Scotti, Marcus T, Muratov, Eugene N, González-Díaz, Humbert
Published in Current topics in medicinal chemistry (01.01.2020)
Published in Current topics in medicinal chemistry (01.01.2020)
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Journal Article
Computationally-guided drug repurposing enables the discovery of kinase targets and inhibitors as new schistosomicidal agents
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
Published in PLoS computational biology (01.10.2018)
Published in PLoS computational biology (01.10.2018)
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Journal Article
Computer-Aided Discovery and Characterization of Novel Ebola Virus Inhibitors
Capuzzi, Stephen J, Sun, Wei, Muratov, Eugene N, Martínez-Romero, Carles, He, Shihua, Zhu, Wenjun, Li, Hao, Tawa, Gregory, Fisher, Ethan G, Xu, Miao, Shinn, Paul, Qiu, Xiangguo, García-Sastre, Adolfo, Zheng, Wei, Tropsha, Alexander
Published in Journal of medicinal chemistry (26.04.2018)
Published in Journal of medicinal chemistry (26.04.2018)
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Journal Article
Selenium and Computational Studies
de Sousa, Natália Ferreira, Scotti, Luciana, Muratov, Eugene N, Scotti, Marcus Tullius
Published in Mini reviews in medicinal chemistry (01.01.2021)
Published in Mini reviews in medicinal chemistry (01.01.2021)
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Journal Article
New Experimental and Computational Tools for Drug Discovery. - Part-VII
Scotti, Markus T, Muratov, Eugene N, González-Díaz, Humbert
Published in Current topics in medicinal chemistry (01.01.2019)
Published in Current topics in medicinal chemistry (01.01.2019)
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Journal Article
Recent Studies on Neglected Drug Design
de Sousa, Natália Ferreira, Scotti, Luciana, Rodrigues, Gabriela Cristina Soares, de Moura, Érika Paiva, Costa Barros, Renata Priscila Barros, Sessions, Zoe L, Muratov, Eugene N, Scotti, Marcus Tullius
Published in Current topics in medicinal chemistry (01.01.2021)
Published in Current topics in medicinal chemistry (01.01.2021)
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Journal Article
Artificial intelligence systems for the design of magic shotgun drugs
Moreira-Filho, José Teófilo, da Silva, Meryck Felipe Brito, Borba, Joyce Villa Verde Bastos, Filho, Arlindo Rodrigues Galvão, Muratov, Eugene N, Andrade, Carolina Horta, Braga, Rodolpho de Campos, Neves, Bruno Junior
Published in Artificial intelligence in the life sciences (01.12.2023)
Published in Artificial intelligence in the life sciences (01.12.2023)
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Journal Article