Expanding biological space coverage enhances the prediction of drug adverse effects in human using in vitro activity profiles

por Huang, Ruili, Xia, Menghang, Sakamuru, Srilatha, Zhao, Jinghua, Lynch, Caitlin, Zhao, Tongan, Zhu, Hu, Austin, Christopher P., Simeonov, Anton
Publicado 2018

Modelling the Tox21 10 K chemical profiles for in vivo toxicity prediction and mechanism characterization

por Huang, Ruili, Xia, Menghang, Sakamuru, Srilatha, Zhao, Jinghua, Shahane, Sampada A., Attene-Ramos, Matias, Zhao, Tongan, Austin, Christopher P., Simeonov, Anton
Publicado 2016

The NCATS BioPlanet – An Integrated Platform for Exploring the Universe of Cellular Signaling Pathways for Toxicology, Systems Biology, and Chemical Genomics

por Huang, Ruili, Grishagin, Ivan, Wang, Yuhong, Zhao, Tongan, Greene, Jon, Obenauer, John C., Ngan, Deborah, Nguyen, Dac-Trung, Guha, Rajarshi, Jadhav, Ajit, Southall, Noel, Simeonov, Anton, Austin, Christopher P.
Publicado 2019

Drug Repurposing Screen for Compounds Inhibiting the Cytopathic Effect of SARS-CoV-2

por Chen, Catherine Z., Shinn, Paul, Itkin, Zina, Eastman, Richard T., Bostwick, Robert, Rasmussen, Lynn, Huang, Ruili, Shen, Min, Hu, Xin, Wilson, Kelli M., Brooks, Brianna, Guo, Hui, Zhao, Tongan, Klump-Thomas, Carleen, Simeonov, Anton, Michael, Samuel G., Lo, Donald C., Hall, Matthew D., Zheng, Wei
Publicado 2020

Drug Repurposing Screen for Compounds Inhibiting the Cytopathic Effect of SARS-CoV-2

por Chen, Catherine Z., Shinn, Paul, Itkin, Zina, Eastman, Richard T., Bostwick, Robert, Rasmussen, Lynn, Huang, Ruili, Shen, Min, Hu, Xin, Wilson, Kelli M., Brooks, Brianna M., Guo, Hui, Zhao, Tongan, Klump-Thomas, Carleen, Simeonov, Anton, Michael, Samuel G., Lo, Donald C., Hall, Matthew D., Zheng, Wei
Publicado 2021

Profiling of the Tox21 10K compound library for agonists and antagonists of the estrogen receptor alpha signaling pathway

por Huang, Ruili, Sakamuru, Srilatha, Martin, Matt T., Reif, David M., Judson, Richard S., Houck, Keith A., Casey, Warren, Hsieh, Jui-Hua, Shockley, Keith R., Ceger, Patricia, Fostel, Jennifer, Witt, Kristine L., Tong, Weida, Rotroff, Daniel M., Zhao, Tongan, Shinn, Paul, Simeonov, Anton, Dix, David J., Austin, Christopher P., Kavlock, Robert J., Tice, Raymond R., Xia, Menghang
Publicado 2014

An OpenData portal to share COVID-19 drug repurposing data in real time

por Brimacombe, Kyle R., Zhao, Tongan, Eastman, Richard T., Hu, Xin, Wang, Ke, Backus, Mark, Baljinnyam, Bolormaa, Chen, Catherine Z., Chen, Lu, Eicher, Tara, Ferrer, Marc, Fu, Ying, Gorshkov, Kirill, Guo, Hui, Hanson, Quinlin M., Itkin, Zina, Kales, Stephen C., Klumpp-Thomas, Carleen, Lee, Emily M., Michael, Sam, Mierzwa, Tim, Patt, Andrew, Pradhan, Manisha, Renn, Alex, Shinn, Paul, Shrimp, Jonathan H., Viraktamath, Amit, Wilson, Kelli M., Xu, Miao, Zakharov, Alexey V., Zhu, Wei, Zheng, Wei, Simeonov, Anton, Mathé, Ewy A., Lo, Donald C., Hall, Matthew D., Shen, Min
Publicado 2020

Canvass: A Crowd-Sourced, Natural-Product Screening Library for Exploring Biological Space

por Kearney, Sara E., Zahoránszky-Kőhalmi, Gergely, Brimacombe, Kyle R., Henderson, Mark J., Lynch, Caitlin, Zhao, Tongan, Wan, Kanny K., Itkin, Zina, Dillon, Christopher, Shen, Min, Cheff, Dorian M., Lee, Tobie D., Bougie, Danielle, Cheng, Ken, Coussens, Nathan P., Dorjsuren, Dorjbal, Eastman, Richard T., Huang, Ruili, Iannotti, Michael J., Karavadhi, Surendra, Klumpp-Thomas, Carleen, Roth, Jacob S., Sakamuru, Srilatha, Sun, Wei, Titus, Steven A., Yasgar, Adam, Zhang, Ya-Qin, Zhao, Jinghua, Andrade, Rodrigo B., Brown, M. Kevin, Burns, Noah Z., Cha, Jin K., Mevers, Emily E., Clardy, Jon, Clement, Jason A., Crooks, Peter A., Cuny, Gregory D., Ganor, Jake, Moreno, Jesus, Morrill, Lucas A., Picazo, Elias, Susick, Robert B., Garg, Neil K., Goess, Brian C., Grossman, Robert B., Hughes, Chambers C., Johnston, Jeffrey N., Joullie, Madeleine M., Kinghorn, A. Douglas, Kingston, David G.I., Krische, Michael J., Kwon, Ohyun, Maimone, Thomas J., Majumdar, Susruta, Maloney, Katherine N., Mohamed, Enas, Murphy, Brian T., Nagorny, Pavel, Olson, David E., Overman, Larry E., Brown, Lauren E., Snyder, John K., Porco, John A., Rivas, Fatima, Ross, Samir A., Sarpong, Richmond, Sharma, Indrajeet, Shaw, Jared T., Xu, Zhengren, Shen, Ben, Shi, Wei, Stephenson, Corey R.J., Verano, Alyssa L., Tan, Derek S., Tang, Yi, Taylor, Richard E., Thomson, Regan J., Vosburg, David A., Wu, Jimmy, Wuest, William M., Zakarian, Armen, Zhang, Yufeng, Ren, Tianjing, Zuo, Zhong, Inglese, James, Michael, Sam, Simeonov, Anton, Zheng, Wei, Shinn, Paul, Jadhav, Ajit, Boxer, Matthew B., Hall, Matthew D., Xia, Menghang, Guha, Rajarshi, Rohde, Jason M.
Publicado 2018

CATMoS: Collaborative Acute Toxicity Modeling Suite

por Mansouri, Kamel, Karmaus, Agnes L., Fitzpatrick, Jeremy, Patlewicz, Grace, Pradeep, Prachi, Alberga, Domenico, Alepee, Nathalie, Allen, Timothy E.H., Allen, Dave, Alves, Vinicius M., Andrade, Carolina H., Auernhammer, Tyler R., Ballabio, Davide, Bell, Shannon, Benfenati, Emilio, Bhattacharya, Sudin, Bastos, Joyce V., Boyd, Stephen, Brown, J.B., Capuzzi, Stephen J., Chushak, Yaroslav, Ciallella, Heather, Clark, Alex M., Consonni, Viviana, Daga, Pankaj R., Ekins, Sean, Farag, Sherif, Fedorov, Maxim, Fourches, Denis, Gadaleta, Domenico, Gao, Feng, Gearhart, Jeffery M., Goh, Garett, Goodman, Jonathan M., Grisoni, Francesca, Grulke, Christopher M., Hartung, Thomas, Hirn, Matthew, Karpov, Pavel, Korotcov, Alexandru, Lavado, Giovanna J., Lawless, Michael, Li, Xinhao, Luechtefeld, Thomas, Lunghini, Filippo, Mangiatordi, Giuseppe F., Marcou, Gilles, Marsh, Dan, Martin, Todd, Mauri, Andrea, Muratov, Eugene N., Myatt, Glenn J., Nguyen, Dac-Trung, Nicolotti, Orazio, Note, Reine, Pande, Paritosh, Parks, Amanda K., Peryea, Tyler, Polash, Ahsan H., Rallo, Robert, Roncaglioni, Alessandra, Rowlands, Craig, Ruiz, Patricia, Russo, Daniel P., Sayed, Ahmed, Sayre, Risa, Sheils, Timothy, Siegel, Charles, Silva, Arthur C., Simeonov, Anton, Sosnin, Sergey, Southall, Noel, Strickland, Judy, Tang, Yun, Teppen, Brian, Tetko, Igor V., Thomas, Dennis, Tkachenko, Valery, Todeschini, Roberto, Toma, Cosimo, Tripodi, Ignacio, Trisciuzzi, Daniela, Tropsha, Alexander, Varnek, Alexandre, Vukovic, Kristijan, Wang, Zhongyu, Wang, Liguo, Waters, Katrina M., Wedlake, Andrew J., Wijeyesakere, Sanjeeva J., Wilson, Dan, Xiao, Zijun, Yang, Hongbin, Zahoranszky-Kohalmi, Gergely, Zakharov, Alexey V., Zhang, Fagen F., Zhang, Zhen, Zhao, Tongan, Zhu, Hao, Zorn, Kimberley M., Casey, Warren, Kleinstreuer, Nicole C.
Publicado 2021

Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite

por Mansouri, Kamel, Karmaus, Agnes, Fitzpatrick, Jeremy, Patlewicz, Grace, Pradeep, Prachi, Alberga, Domenico, Alepee, Nathalie, Allen, Timothy E.H., Allen, Dave, Alves, Vinicius M., Andrade, Carolina H., Auernhammer, Tyler R., Ballabio, Davide, Bell, Shannon, Benfenati, Emilio, Bhattacharya, Sudin, Bastos, Joyce V., Boyd, Stephen, Brown, J.B., Capuzzi, Stephen J., Chushak, Yaroslav, Ciallella, Heather, Clark, Alex M., Consonni, Viviana, Daga, Pankaj R., Ekins, Sean, Farag, Sherif, Fedorov, Maxim, Fourches, Denis, Gadaleta, Domenico, Gao, Feng, Gearhart, Jeffery M., Goh, Garett, Goodman, Jonathan M., Grisoni, Francesca, Grulke, Christopher M., Hartung, Thomas, Hirn, Matthew, Karpov, Pavel, Korotcov, Alexandru, Lavado, Giovanna J., Lawless, Michael, Li, Xinhao, Luechtefeld, Thomas, Lunghini, Filippo, Mangiatordi, Giuseppe F., Marcou, Gilles, Marsh, Dan, Martin, Todd, Mauri, Andrea, Muratov, Eugene N., Myatt, Glenn J., Nguyen, Dac-Trung, Nicolotti, Orazio, Note, Reine, Pande, Paritosh, Parks, Amanda K., Peryea, Tyler, Polash, Ahsan, Rallo, Robert, Roncaglioni, Alessandra, Rowlands, Craig, Ruiz, Patricia, Russo, Daniel, Sayed, Ahmed, Sayre, Risa, Sheils, Timothy, Siegel, Charles, Silva, Arthur C., Simeonov, Anton, Sosnin, Sergey, Southall, Noel, Strickland, Judy, Tang, Yun, Teppen, Brian, Tetko, Igor V., Thomas, Dennis, Tkachenko, Valery, Todeschini, Roberto, Toma, Cosimo, Tripodi, Ignacio, Trisciuzzi, Daniela, Tropsha, Alexander, Varnek, Alexandre, Vukovic, Kristijan, Wang, Zhongyu, Wang, Liguo, Waters, Katrina M., Wedlake, Andrew J., Wijeyesakere, Sanjeeva J., Wilson, Dan, Xiao, Zijun, Yang, Hongbin, Zahoranszky-Kohalmi, Gergely, Zakharov, Alexey V., Zhang, Fagen F., Zhang, Zhen, Zhao, Tongan, Zhu, Hao, Zorn, Kimberley M., Casey, Warren, Kleinstreuer, Nicole C.
Publicado 2021

Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite

por Mansouri, Kamel, Karmaus, Agnes L., Fitzpatrick, Jeremy, Patlewicz, Grace, Pradeep, Prachi, Alberga, Domenico, Alepee, Nathalie, Allen, Timothy E.H., Allen, Dave, Alves, Vinicius M., Andrade, Carolina H., Auernhammer, Tyler R., Ballabio, Davide, Bell, Shannon, Benfenati, Emilio, Bhattacharya, Sudin, Bastos, Joyce V., Boyd, Stephen, Brown, J. B., Capuzzi, Stephen J., Chushak, Yaroslav, Ciallella, Heather, Clark, Alex M., Consonni, Viviana, Daga, Pankaj R., Ekins, Sean, Farag, Sherif, Fedorov, Maxim, Fourches, Denis, Gadaleta, Domenico, Gao, Feng, Gearhart, Jeffery M., Goh, Garett, Goodman, Jonathan M., Grisoni, Francesca, Grulke, Christopher M., Hartung, Thomas, Hirn, Matthew, Karpov, Pavel, Korotcov, Alexandru, Lavado, Giovanna J., Lawless, Michael, Li, Xinhao, Luechtefeld, Thomas, Lunghini, Filippo, Mangiatordi, Giuseppe F., Marcou, Gilles, Marsh, Dan, Martin, Todd, Mauri, Andrea, Muratov, Eugene N., Myatt, Glenn J., Nguyen, Dac-Trung, Nicolotti, Orazio, Note, Reine, Pande, Paritosh, Parks, Amanda K., Peryea, Tyler, Polash, Ahsan H., Rallo, Robert, Roncaglioni, Alessandra, Rowlands, Craig, Ruiz, Patricia, Russo, Daniel P., Sayed, Ahmed, Sayre, Risa, Sheils, Timothy, Siegel, Charles, Silva, Arthur C., Simeonov, Anton, Sosnin, Sergey, Southall, Noel, Strickland, Judy, Tang, Yun, Teppen, Brian, Tetko, Igor V., Thomas, Dennis, Tkachenko, Valery, Todeschini, Roberto, Toma, Cosimo, Tripodi, Ignacio, Trisciuzzi, Daniela, Tropsha, Alexander, Varnek, Alexandre, Vukovic, Kristijan, Wang, Zhongyu, Wang, Liguo, Waters, Katrina M., Wedlake, Andrew J., Wijeyesakere, Sanjeeva J., Wilson, Dan, Xiao, Zijun, Yang, Hongbin, Zahoranszky-Kohalmi, Gergely, Zakharov, Alexey V., Zhang, Fagen F., Zhang, Zhen, Zhao, Tongan, Zhu, Hao, Zorn, Kimberley M., Casey, Warren, Kleinstreuer, Nicole C.
Publicado 2021