2D Depiction of Fragment Hierarchies

par Clark, Alex M.
Publié 2009

Basic primitives for molecular diagram sketching

par Clark, Alex M
Publié 2010

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

par Ekins, Sean, Clark, Alex M, Sarker, Malabika
Publié 2013

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

par Clark, Alex M, Sarker, Malabika, Ekins, Sean
Publié 2014

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

par Clark, Alex M., Dole, Krishna, Ekins, Sean
Publié dans J Chem Inf Model (2016)

Open Drug Discovery Teams: A Chemistry Mobile App for Collaboration

par Ekins, Sean, Clark, Alex M, Williams, Antony J
Publié 2012

Redefining Cheminformatics with Intuitive Collaborative Mobile Apps

par Clark, Alex M, Ekins, Sean, Williams, Antony J
Publié 2012

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

par Clark, Alex M, Williams, Antony J, Ekins, Sean
Publié dans J Cheminform (2015)

Making Transporter Models for Drug–Drug Interaction Prediction Mobile

par Ekins, Sean, Clark, Alex M., Wright, Stephen H.
Publié dans Drug Metab Dispos (2015)

Bigger Data, Collaborative Tools and the Future of Predictive Drug Discovery

par Ekins, Sean, Clark, Alex M., Swamidass, S. Joshua, Litterman, Nadia, Williams, Antony J.
Publié 2014

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

par Clark, Alex M., McEwen, Leah R., Gedeck, Peter, Bunin, Barry A.
Publié dans J Cheminform (2019)

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

par Ekins, Sean, Perryman, Alexander L., Clark, Alex M., Reynolds, Robert C., Freundlich, Joel S.
Publié dans J Chem Inf Model (2016)

Collaborative drug discovery for More Medicines for Tuberculosis (MM4TB)

par Ekins, Sean, Spektor, Anna Coulon, Clark, Alex M., Dole, Krishna, Bunin, Barry A.
Publié dans Drug Discov Today (2016)

Comparing Multiple Machine Learning Algorithms and Metrics for Estrogen Receptor Binding Prediction

par Russo, Daniel P., Zorn, Kimberley M., Clark, Alex M., Zhu, Hao, Ekins, Sean
Publié dans Mol Pharm (2018)

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

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

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

par Ekins, Sean, Freundlich, Joel S., Clark, Alex M., Anantpadma, Manu, Davey, Robert A., Madrid, Peter
Publié dans F1000Res (2017)

Assessment of Substrate-Dependent Ligand Interactions at the Organic Cation Transporter OCT2 Using Six Model Substrates

par Sandoval, Philip J., Zorn, Kimberley M., Clark, Alex M., Ekins, Sean, Wright, Stephen H.
Publié dans Mol Pharmacol (2018)

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

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

Parallel Worlds of Public and Commercial Bioactive Chemistry Data: Miniperspective

par Lipinski, Christopher A., Litterman, Nadia K., Southan, Christopher, Williams, Antony J., Clark, Alex M., Ekins, Sean
Publié dans J Med Chem (2014)

Multiple Machine Learning Comparisons of HIV Cell-Based and Reverse Transcriptase Datasets

par Zorn, Kimberley M., Lane, Thomas R., Russo, Daniel P., Clark, Alex M., Makarov, Vadim, Ekins, Sean
Publié dans Mol Pharm (2019)