A common feature pharmacophore for FDA-approved drugs inhibiting the Ebola virus

Por Ekins, Sean, Freundlich, Joel S., Coffee, Megan
Publicado no F1000Res (2014)

Fusing Dual-Event Datasets for Mycobacterium Tuberculosis Machine Learning Models and their Evaluation

Por Ekins, Sean, Freundlich, Joel S., Reynolds, Robert C.
Publicado em 2013

Are Bigger Datasets Better for Machine Learning? Fusing Single-Point and Dual-event Dose Response Data For Mycobacterium tuberculosis

Por Ekins, Sean, Freundlich, Joel S., Reynolds, Robert C.
Publicado no J Chem Inf Model (2014)

Computational databases, pathway and cheminformatics tools for tuberculosis drug discovery

Por Ekins, Sean, Freundlich, Joel S., Choi, Inhee, Sarker, Malabika, Talcott, Carolyn
Publicado em 2010

Predicting Mouse Liver Microsomal Stability with “Pruned” Machine Learning Models and Public Data

Por Perryman, Alexander L., Stratton, Thomas P., Ekins, Sean, Freundlich, Joel S.
Publicado no Pharm Res (2015)

Essential Metabolites of Mycobacterium tuberculosis and Their Mimics

Por Lamichhane, Gyanu, Freundlich, Joel S., Ekins, Sean, Wickramaratne, Niluka, Nolan, Scott T., Bishai, William R.
Publicado em 2011

Combining Computational Methods for Hit to Lead Optimization in Mycobacterium tuberculosis Drug Discovery

Por Ekins, Sean, Freundlich, Joel S., Hobrath, Judith V., White, E. Lucile, Reynolds, Robert C
Publicado em 2013

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 no J Chem Inf Model (2016)

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 no F1000Res (2017)

Enhancing Hit Identification in Mycobacterium tuberculosis Drug Discovery Using Validated Dual-Event Bayesian Models

Por Ekins, Sean, Reynolds, Robert C., Franzblau, Scott G., Wan, Baojie, Freundlich, Joel S., Bunin, Barry A.
Publicado em 2013

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 em 2014

Combining Cheminformatics Methods and Pathway Analysis To Identify Molecules With Whole-Cell Activity Against Mycobacterium tuberculosis

Por Sarker, Malabika, Talcott, Carolyn, Madrid, Peter, Chopra, Sidharth, Bunin, Barry A., Lamichhane, Gyanu, Freundlich, Joel S., Ekins, Sean
Publicado em 2012

Expanding the pleuromutilin class of antibiotics by de novo chemical synthesis

Por Lotesta, Stephen D., Liu, Junjia, Yates, Emma V., Krieger, Inna, Sacchettini, James C., Freundlich, Joel S., Sorensen, Erik J.
Publicado em 2011

The Abyssomicin C family as in vitro inhibitors of Mycobacterium tuberculosis

Por Freundlich, Joel S., Lalgondar, Mallikarjun, Wei, Jun-Rong, Swanson, Stephanie, Sorensen, Erik J., Rubin, Eric J., Sacchettini, James C.
Publicado em 2010

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 no J Chem Inf Model (2015)

Novel Transthyretin Amyloid Fibril Formation Inhibitors: Synthesis, Biological Evaluation, and X-Ray Structural Analysis

Por Palaninathan, Satheesh K., Mohamedmohaideen, Nilofar N., Orlandini, Elisabetta, Ortore, Gabriella, Nencetti, Susanna, Lapucci, Annalina, Rossello, Armando, Freundlich, Joel S., Sacchettini, James C.
Publicado em 2009

Biological Evaluation of Potent Triclosan-Derived Inhibitors of the Enoyl-Acyl Carrier Protein Reductase InhA in Drug-sensitive and Drug-resistant Strains of Mycobacterium tubercul...

Por Stec, Jozef, Vilchèze, Catherine, Lun, Shichun, Perryman, Alexander L., Wang, Xin, Freundlich, Joel S., Bishai, William, Jacobs, William R., Kozikowski, Alan P.
Publicado em 2014

A High Throughput Screening Assay for Anti-Mycobacterial Small Molecules Based on Adenylate Kinase Release as a Reporter of Cell Lysis

Por Forbes, Lauren, Ebsworth-Mojica, Katherine, DiDone, Louis, Li, Shao-Gang, Freundlich, Joel S., Connell, Nancy, Dunman, Paul M., Krysan, Damian J.
Publicado no PLoS One (2015)

Triclosan derivatives: Towards potent inhibitors of drug-sensitive and drug-resistant Mycobacterium tuberculosis

Por Freundlich, Joel S., Wang, Feng, Vilchèze, Catherine, Gulten, Gulcin, Langley, Robert, Schiehser, Guy A., Jacobus, David P., Jacobs, William R., Sacchettini, James C.
Publicado em 2009

A Virtual Screen Discovers Novel, Fragment-Sized Inhibitors of Mycobacterium tuberculosis InhA

Por Perryman, Alexander L., Yu, Weixuan, Wang, Xin, Ekins, Sean, Forli, Stefano, Li, Shao-Gang, Freundlich, Joel S., Tonge, Peter J., Olson, Arthur J.
Publicado no J Chem Inf Model (2015)