作者
Kamel Mansouri, Ahmed Abdelaziz, Aleksandra Rybacka, Alessandra Roncaglioni, Alexander Tropsha, Alexandre Varnek, Alexey Zakharov, Andrew Worth, Ann M Richard, Christopher M Grulke, Daniela Trisciuzzi, Denis Fourches, Dragos Horvath, Emilio Benfenati, Eugene Muratov, Eva Bay Wedebye, Francesca Grisoni, Giuseppe F Mangiatordi, Giuseppina M Incisivo, Huixiao Hong, Hui W Ng, Igor V Tetko, Ilya Balabin, Jayaram Kancherla, Jie Shen, Julien Burton, Marc Nicklaus, Matteo Cassotti, Nikolai G Nikolov, Orazio Nicolotti, Patrik L Andersson, Qingda Zang, Regina Politi, Richard D Beger, Roberto Todeschini, Ruili Huang, Sherif Farag, Sine A Rosenberg, Svetoslav Slavov, Xin Hu, Richard S Judson
发表日期
2016/7
期刊
Environmental health perspectives
卷号
124
期号
7
页码范围
1023-1033
出版商
National Institute of Environmental Health Sciences
简介
Background
Humans are exposed to thousands of man-made chemicals in the environment. Some chemicals mimic natural endocrine hormones and, thus, have the potential to be endocrine disruptors. Most of these chemicals have never been tested for their ability to interact with the estrogen receptor (ER). Risk assessors need tools to prioritize chemicals for evaluation in costly in vivo tests, for instance, within the U.S. EPA Endocrine Disruptor Screening Program.
Objectives
We describe a large-scale modeling project called CERAPP (Collaborative Estrogen Receptor Activity Prediction Project) and demonstrate 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.
Methods
CERAPP combined multiple models developed in collaboration with 17 groups in the United States and …
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K Mansouri, A Abdelaziz, A Rybacka, A Roncaglioni… - Environmental health perspectives, 2016