SmartGraph: a network pharmacology investigation platform

por Zahoránszky-Kőhalmi, Gergely, Sheils, Timothy, Oprea, Tudor I.
Publicado 2020

Impact of similarity threshold on the topology of molecular similarity networks and clustering outcomes

por Zahoránszky-Kőhalmi, Gergely, Bologa, Cristian G., Oprea, Tudor I.
Publicado 2016

Erratum to: Impact of similarity threshold on the topology of molecular similarity networks and clustering outcomes

por Zahoránszky-Kőhalmi, Gergely, Bologa, Cristian G., Ursu, Oleg, Oprea, Tudor I.
Publicado 2016

A Perspective on Innovating the Chemistry Lab Bench

por Godfrey, Alexander G., Michael, Samuel G., Sittampalam, Gurusingham Sitta, Zahoránszky-Köhalmi, Gergely
Publicado 2020

Breaking the hierarchy - a new cluster selection mechanism for hierarchical clustering methods

por Zahoránszky, László A, Katona, Gyula Y, Hári, Péter, Málnási-Csizmadia, András, Zweig, Katharina A, Zahoránszky-Köhalmi, Gergely
Publicado 2009

Better living through chemistry: Addressing emerging antibiotic resistance

por Coussens, Nathan P, Molinaro, Ashley L, Culbertson, Kayla J, Peryea, Tyler, Zahoránszky-Köhalmi, Gergely, Hall, Matthew D, Daines, Dayle A
Publicado 2018

Algorithm for the Pruning of Synthesis Graphs

por Zahoránszky-Kőhalmi, Gergely, Lysov, Nikita, Vorontcov, Ilia, Wang, Jeffrey, Soundararajan, Jeyaraman, Metaxotos, Dimitrios, Mathew, Biju, Sarosh, Rafat, Michael, Samuel G., Godfrey, Alexander G.
Publicado 2022

Relating the shape of protein binding sites to binding affinity profiles: is there an association?

por Simon, Zoltán, Vigh-Smeller, Margit, Peragovics, Ágnes, Csukly, Gábor, Zahoránszky-Kőhalmi, Gergely, Rauscher, Anna Á, Jelinek, Balázs, Hári, Péter, Bitter, István, Málnási-Csizmadia, András, Czobor, Pál
Publicado 2010

A Workflow of Integrated Resources to Catalyze Network Pharmacology Driven COVID-19 Research

por Zahoránszky-Kőhalmi, Gergely, Siramshetty, Vishal B., Kumar, Praveen, Gurumurthy, Manideep, Grillo, Busola, Mathew, Biju, Metaxatos, Dimitrios, Backus, Mark, Mierzwa, Tim, Simon, Reid, Grishagin, Ivan, Brovold, Laura, Mathé, Ewy A., Hall, Matthew D., Michael, Samuel G., Godfrey, Alexander G., Mestres, Jordi, Jensen, Lars J., Oprea, Tudor I.
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