QSAR modelling of a large imbalanced aryl hydrocarbon activation dataset by rational and random sampling and screening of 80,086 REACH pre-registered and/or registered substances

por Klimenko, Kyrylo, Rosenberg, Sine A., Dybdahl, Marianne, Wedebye, Eva B., Nikolov, Nikolai G.
Publicado 2019

Asthma‐inducing potential of 28 substances in spray cleaning products—Assessed by quantitative structure activity relationship (QSAR) testing and literature review

por Hadrup, Niels, Frederiksen, Marie, Wedebye, Eva B., Nikolov, Nikolai G., Carøe, Tanja K., Sørli, Jorid B., Frydendall, Karen B., Liguori, Biase, Sejbaek, Camilla S., Wolkoff, Peder, Flachs, Esben M., Schlünssen, Vivi, Meyer, Harald W., Clausen, Per A., Hougaard, Karin S.
Publicado 2021

CERAPP: Collaborative Estrogen Receptor Activity Prediction Project

por 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.
Publicado 2016

CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

por 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.
Publicado 2020