Résultats de la recherche
(1 - 7 of 7)
- Critical Assessment of QSAR Models of Environmental Toxicity against Tetrahymena pyriformis: Focusing on Applicability Domain and Overfitting by Variable Selection
- Pas de texte intégral
- Tetko Igor V., Sushko Iurii, Pandey Anil Kumar, Zhu Hao, Tropsha Alexander, Papa Ester, Öberg Tomas, Todeschini Roberto, Fourches Denis, Varnek Alexandre
- Articles Scientifiques
- 2008-09-22
- Journal of Chemical Information and Modeling
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Chimie de la matière complexe - CMC - UMR7140
- Inductive Transfer of Knowledge: Application of Multi-Task Learning and Feature Net Approaches to Model Tissue-Air Partition Coefficients
- Pas de texte intégral
- Varnek Alexandre, Gaudin Cédric, Marcou Gilles, Baskin Igor, Pandey Anil Kumar, Tetko Igor V.
- Articles Scientifiques
- 2009-01-26
- Journal of Chemical Information and Modeling
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Chimie de la matière complexe - CMC - UMR7140, Chimie de la matière complexe - CMC - UMR7140, Chimie de la matière complexe - CMC - UMR7140
- Combinatorial QSAR Modeling of Chemical Toxicants Tested against Tetrahymena pyriformis
- Pas de texte intégral
- Zhu Hao, Tropsha Alexander, Fourches Denis, Varnek Alexandre, Papa Ester, Gramatica Paola, Öberg Tomas, Dao Phuong, Cherkasov Artem, TetkO Igor V.
- Articles Scientifiques
- 2008-04-05
- Journal of Chemical Information and Modeling
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Chimie de la matière complexe - CMC - UMR7140
- QSAR without borders
- Pas de texte intégral
- Muratov Eugene N., Bajorath Jürgen, Sheridan Robert P., Tetko Igor V., Filimonov Dmitry, Poroikov Vladimir, Oprea Tudor I., Baskin Igor, Varnek Alexandre, Roitberg Adrian, Isayev Olexandr, Curtalolo Stefano, Fourches Denis, Cohen Yoram, Aspuru-Guzik Alan, Winkler David A., Agrafiotis Dimitris, Cherkasov Artem, Tropsha Alexander
- Articles Scientifiques
- 2020-06-08
- Chemical Society Reviews
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Chimie de la matière complexe - CMC - UMR7140, Chimie de la matière complexe - CMC - UMR7140
- CERAPP: Collaborative Estrogen Receptor Activity Prediction Project
- Accès libre Peer reviewed
- Mansouri Kamel, Abdelaziz Ahmed, Rybacka Aleksandra, Roncaglioni Alessandra, Tropsha Alexander, Varnek Alexandre, Zakharov Alexey, Worth Andrew, Richard Ann M., Grulke Christopher M., Trisciuzzi Daniela, Fourches Denis, Horvath Dragos, Benfenati Emilio, Muratov Eugene, Wedebye Eva Bay, Grisoni Francesca, Mangiatordi Giuseppe F., Incisivo Giuseppina M., Hong Huixiao, Ng Hui W., Tetko Igor V., Balabin Ilya, Kancherla Jayaram, Shen Jie, Burton Julien, Nicklaus Marc, Cassotti Matteo, Nikolov Nikolai G., Nicolotti Orazio, Andersson Patrik L., Zang Qingda, Politi Regina, Beger Richard D., Todeschini Roberto, Huang Ruili, Farag Sherif, Rosenberg Sine A., Slavov Svetoslav, Hu Xin, Judson Richard S.
- Articles Scientifiques
- 2016-07
- Environmental Health Perspectives
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Chimie de la matière complexe - CMC - UMR7140, Chimie de la matière complexe - CMC - UMR7140
- Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set
- Pas de texte intégral
- Sushko Iurii, Novotarskyi Sergii, Körner Robert, Pandey Anil Kumar, Cherkasov Artem, Li Jiazhong, Gramatica Paola, Hansen Katja, Schroeter Timon, Müller Klaus-Robert, Xi Lili, Liu Huanxiang, Yao Xiaojun, Öberg Tomas, Hormozdiari Farhad, Dao Phuong, Sahinalp Cenk, Todeschini Roberto, Polishchuk Pavel, Artemenko Anatoliy, Kuz’min Victor, Martin Todd M., Young Douglas M., Fourches Denis, Muratov Eugene, Tropsha Alexander, Baskin Igor, Horvath Dragos, Marcou Gilles, Muller Christophe, Varnek Alexandre, Prokopenko Volodymyr V., Tetko Igor V.
- Articles Scientifiques
- 2010-12-27
- Journal of Chemical Information and Modeling
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Chimie de la matière complexe - CMC - UMR7140, Chimie de la matière complexe - CMC - UMR7140, Chimie de la matière complexe - CMC - UMR7140, Chimie de la matière complexe - CMC - UMR7140
- CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity
- Pas de texte intégral
- Mansouri Kamel, Kleinstreuer Nicole, Abdelaziz Ahmed M., Alberga Domenico, Alves Vinicius M., Andersson Patrik L., Andrade Carolina H., Bai Fang, Balabin Ilya, Ballabio Davide, Benfenati Emilio, Bhhatarai Barun, Boyer Scott, Chen Jingwen, Consonni Viviana, Farag Sherif, Fourches Denis, García-Sosa Alfonso T., Gramatica Paola, Grisoni Francesca, Grulke Chris M., Hong Huixiao, Horvath Dragos, Hu Xin, Huang Ruili, Jeliazkova Nina, Li Jiazhong, Li Xuehua, Liu Huanxiang, Manganelli Serena, Mangiatordi Giuseppe F., Maran Uko, Marcou Gilles, Martin Todd, Muratov Eugene, Nguyen Dac-Trung, Nicolotti Orazio, Nikolov Nikolai G., Norinder Ulf, Papa Ester, Petitjean Michel, Piir Geven, Pogodin Pavel, Poroikov Vladimir, Qiao Xianliang, Richard Ann M., Roncaglioni Alessandra, Ruiz Patricia, Rupakheti Chetan, Sakkiah Sugunadevi, Sangion Alessandro, Schramm Karl-Werner, Selvaraj Chandrabose, Shah Imran, Sild Sulev, Sun Lixia, Taboureau Olivier, Tang Yun, Tetko Igor V., Todeschini Roberto, Tong Weida, Trisciuzzi Daniela, Tropsha Alexander, Van Den Driessche George, Varnek Alexandre, Wang Zhongyu, Wedebye Eva B., Williams Antony J., Xie Hongbin, Zakharov Alexey V., Zheng Ziye, Judson Richard S.
- Articles Scientifiques
- 2020-02
- Environmental Health Perspectives
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Chimie de la matière complexe - CMC - UMR7140, Chimie de la matière complexe - CMC - UMR7140, Chimie de la matière complexe - CMC - UMR7140