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Alexey V. Zakharov
Researcher at National Institutes of Health
Publications - 95
Citations - 2497
Alexey V. Zakharov is an academic researcher from National Institutes of Health. The author has contributed to research in topics: Medicine & Quantitative structure–activity relationship. The author has an hindex of 23, co-authored 83 publications receiving 1710 citations. Previous affiliations of Alexey V. Zakharov include Russian Academy of Sciences & Russian Academy.
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CERAPP: Collaborative Estrogen Receptor Activity Prediction Project
Kamel Mansouri,Ahmed Abdelaziz,Aleksandra Rybacka,Alessandra Roncaglioni,Alexander Tropsha,Alexandre Varnek,Alexey V. Zakharov,Andrew Worth,Ann M. Richard,Christopher M. Grulke,Daniela Trisciuzzi,Denis Fourches,Dragos Horvath,Emilio Benfenati,Eugene N. Muratov,Eva Bay Wedebye,Francesca Grisoni,Giuseppe Felice Mangiatordi,Giuseppina M. Incisivo,Huixiao Hong,Hui W. Ng,Igor V. Tetko,Ilya A. Balabin,Jayaram Kancherla,Jie Shen,Julien Burton,Marc C. Nicklaus,Matteo Cassotti,Nikolai Georgiev Nikolov,Orazio Nicolotti,Patrik L. Andersson,Qingda Zang,Regina Politi,Richard D. Beger,Roberto Todeschini,Ruili Huang,Sherif Farag,Sine Abildgaard Rosenberg,Svetoslav Slavov,Xin Hu,Richard S. Judson +40 more
TL;DR: This project demonstrated the possibility to screen large libraries of chemicals using a consensus of different in silico approaches and the efficacy of using predictive computational models trained on high-throughput screening data to evaluate thousands of chemicals for ER-related activity and prioritize them for further testing.
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QSAR Modelling of Rat Acute Toxicity on the Basis of PASS Prediction
TL;DR: Comparison of accuracy for QSAR models obtained separately using QNA descriptors, PASS predictions, nearest neighbours’ assessment with consensus models clearly demonstrated the benefits of consensus prediction.
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Collaborative development of predictive toxicology applications
Barry Hardy,Nicki Douglas,Christoph Helma,Micha Rautenberg,Nina Jeliazkova,Vedrin Jeliazkov,Ivelina Nikolova,Romualdo Benigni,Olga Tcheremenskaia,Stefan Kramer,Tobias Girschick,Fabian Buchwald,Jörg Wicker,Andreas Karwath,Martin Gütlein,Andreas Maunz,Haralambos Sarimveis,Georgia Melagraki,Antreas Afantitis,Pantelis Sopasakis,David Gallagher,Vladimir Poroikov,Dmitry Filimonov,Alexey V. Zakharov,Alexey Lagunin,Tatyana A. Gloriozova,Sergey V. Novikov,Natalia Skvortsova,D. S. Druzhilovsky,Sunil Chawla,Indira Ghosh,Surajit Ray,Hitesh Patel,Sylvia Escher +33 more
TL;DR: Because of the extensible nature of the standardised Framework design, barriers of interoperability between applications and content are removed, as the user may combine data, models and validation from multiple sources in a dependable and time-effective way.
Journal ArticleDOI
CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity.
Kamel Mansouri,Nicole Kleinstreuer,Ahmed Abdelaziz,Domenico Alberga,Vinicius M. Alves,Vinicius M. Alves,Patrik L. Andersson,Carolina Horta Andrade,Fang Bai,Ilya A. Balabin,Davide Ballabio,Emilio Benfenati,Barun Bhhatarai,Scott Boyer,Jingwen Chen,Viviana Consonni,Sherif Farag,Denis Fourches,Alfonso T. García-Sosa,Paola Gramatica,Francesca Grisoni,Christopher M. Grulke,Huixiao Hong,Dragos Horvath,Xin Hu,Ruili Huang,Nina Jeliazkova,Jiazhong Li,Xuehua Li,Huanxiang Liu,Serena Manganelli,Giuseppe Felice Mangiatordi,Uko Maran,Gilles Marcou,Todd M. Martin,Eugene N. Muratov,Dac-Trung Nguyen,Orazio Nicolotti,Nikolai Georgiev Nikolov,Ulf Norinder,Ester Papa,Michel Petitjean,Geven Piir,Pavel V. Pogodin,Vladimir Poroikov,Xianliang Qiao,Ann M. Richard,Alessandra Roncaglioni,Patricia Ruiz,Chetan Rupakheti,Chetan Rupakheti,Sugunadevi Sakkiah,Alessandro Sangion,Karl-Werner Schramm,Chandrabose Selvaraj,Imran Shah,Sulev Sild,Lixia Sun,Olivier Taboureau,Yun Tang,Igor V. Tetko,Roberto Todeschini,Weida Tong,Daniela Trisciuzzi,Alexander Tropsha,George Van Den Driessche,Alexandre Varnek,Zhongyu Wang,Eva Bay Wedebye,Antony J. Williams,Hongbin Xie,Alexey V. Zakharov,Ziye Zheng,Richard S. Judson +73 more
TL;DR: The Collaborative Modeling Project for Androgen Receptor Activity (CoMPARA) efforts are described, which follows the steps of the Collaborative Estrogen Recept Activity Prediction Project (CERAPP).
Journal ArticleDOI
Alarms about structural alerts
Vinicius M. Alves,Vinicius M. Alves,Eugene N. Muratov,Eugene N. Muratov,Stephen J. Capuzzi,Regina Politi,Yen Low,Rodolpho C. Braga,Alexey V. Zakharov,Alexander Sedykh,Elena Mokshyna,Sherif Farag,Carolina Horta Andrade,Victor E. Kuz’min,Denis Fourches,Alexander Tropsha +15 more
TL;DR: It is demonstrated that contrary to the common perception of QSAR models as "black boxes" they can be used to identify statistically significant chemical substructures (QSAR-based alerts) that influence toxicity.