2D Depiction of Fragment Hierarchies

por Clark, Alex M.
Publicado 2009

Basic primitives for molecular diagram sketching

por Clark, Alex M
Publicado 2010

TB Mobile: a mobile app for anti-tuberculosis molecules with known targets

por Ekins, Sean, Clark, Alex M, Sarker, Malabika
Publicado 2013

New target prediction and visualization tools incorporating open source molecular fingerprints for TB Mobile 2.0

por Clark, Alex M, Sarker, Malabika, Ekins, Sean
Publicado 2014

Open Source Bayesian Models. 3. Composite Models for Prediction of Binned Responses

por Clark, Alex M., Dole, Krishna, Ekins, Sean
Publicado 2016

Open Drug Discovery Teams: A Chemistry Mobile App for Collaboration

por Ekins, Sean, Clark, Alex M, Williams, Antony J
Publicado 2012

Redefining Cheminformatics with Intuitive Collaborative Mobile Apps

por Clark, Alex M, Ekins, Sean, Williams, Antony J
Publicado 2012

Machines first, humans second: on the importance of algorithmic interpretation of open chemistry data

por Clark, Alex M, Williams, Antony J, Ekins, Sean
Publicado 2015

Using Machine Learning to Parse Chemical Mixture Descriptions

por Clark, Alex M., Gedeck, Peter, Cheung, Philip P., Bunin, Barry A.
Publicado 2021

Capturing mixture composition: an open machine-readable format for representing mixed substances

por Clark, Alex M., McEwen, Leah R., Gedeck, Peter, Bunin, Barry A.
Publicado 2019

Machine Learning Model Analysis and Data Visualization with Small Molecules Tested in a Mouse Model of Mycobacterium tuberculosis Infection (2014–2015)

por Ekins, Sean, Perryman, Alexander L., Clark, Alex M., Reynolds, Robert C., Freundlich, Joel S.
Publicado 2016

Fast and accurate semantic annotation of bioassays exploiting a hybrid of machine learning and user confirmation

por Clark, Alex M., Bunin, Barry A., Litterman, Nadia K., Schürer, Stephan C., Visser, Ubbo
Publicado 2014

Machine learning models identify molecules active against the Ebola virus in vitro

por Ekins, Sean, Freundlich, Joel S., Clark, Alex M., Anantpadma, Manu, Davey, Robert A., Madrid, Peter
Publicado 2017

Looking Back to the Future: Predicting in Vivo Efficacy of Small Molecules versus Mycobacterium tuberculosis

por Ekins, Sean, Pottorf, Richard, Reynolds, Robert C., Williams, Antony J., Clark, Alex M., Freundlich, Joel S.
Publicado 2014

Parallel Worlds of Public and Commercial Bioactive Chemistry Data: Miniperspective

por Lipinski, Christopher A., Litterman, Nadia K., Southan, Christopher, Williams, Antony J., Clark, Alex M., Ekins, Sean
Publicado 2014

Open Source Bayesian Models. 1. Application to ADME/Tox and Drug Discovery Datasets

por Clark, Alex M., Dole, Krishna, Coulon-Spektor, Anna, McNutt, Andrew, Grass, George, Freundlich, Joel S., Reynolds, Robert C., Ekins, Sean
Publicado 2015

The Next Frontier of Environmental Unknowns: Substances of Unknown or Variable Composition, Complex Reaction Products, or Biological Materials (UVCBs)

por Lai, Adelene, Clark, Alex M., Escher, Beate I., Fernandez, Marc, McEwen, Leah R., Tian, Zhenyu, Wang, Zhanyun, Schymanski, Emma L.
Publicado 2022

Ebola Virus Bayesian Machine Learning Models Enable New in Vitro Leads

por Anantpadma, Manu, Lane, Thomas, Zorn, Kimberley M., Lingerfelt, Mary A., Clark, Alex M., Freundlich, Joel S., Davey, Robert A., Madrid, Peter B., Ekins, Sean
Publicado 2019

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