Search Results - "Zorn, Kimberley M."

Exploiting machine learning for end-to-end drug discovery and development by Ekins, Sean, Puhl, Ana C., Zorn, Kimberley M., Lane, Thomas R., Russo, Daniel P., Klein, Jennifer J., Hickey, Anthony J., Clark, Alex M.

“…A variety of machine learning methods such as naive Bayesian, support vector machines and more recently deep neural networks are demonstrating their utility…”
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Assessment of Substrate-Dependent Ligand Interactions at the Organic Cation Transporter OCT2 Using Six Model Substrates by Sandoval, Philip J, Zorn, Kimberley M, Clark, Alex M, Ekins, Sean, Wright, Stephen H

“…Organic cation transporter (OCT) 2 mediates the entry step for organic cation secretion by renal proximal tubule cells and is a site of unwanted drug-drug…”
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Quantum Machine Learning Algorithms for Drug Discovery Applications by Batra, Kushal, Zorn, Kimberley M, Foil, Daniel H, Minerali, Eni, Gawriljuk, Victor O, Lane, Thomas R, Ekins, Sean

“…The growing quantity of public and private data sets focused on small molecules screened against biological targets or whole organisms provides a wealth of…”
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Comparing Machine Learning Algorithms for Predicting Drug-Induced Liver Injury (DILI) by Minerali, Eni, Foil, Daniel H, Zorn, Kimberley M, Lane, Thomas R, Ekins, Sean

“…Drug-induced liver injury (DILI) is one the most unpredictable adverse reactions to xenobiotics in humans and the leading cause of postmarketing withdrawals of…”
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Comparison of Machine Learning Models for the Androgen Receptor by Zorn, Kimberley M, Foil, Daniel H, Lane, Thomas R, Hillwalker, Wendy, Feifarek, David J, Jones, Frank, Klaren, William D, Brinkman, Ashley M, Ekins, Sean

“…The androgen receptor (AR) is a target of interest for endocrine disruption research, as altered signaling can affect normal reproductive and neurological…”
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Synergistic drug combinations and machine learning for drug repurposing in chordoma by Anderson, Edward, Havener, Tammy M., Zorn, Kimberley M., Foil, Daniel H., Lane, Thomas R., Capuzzi, Stephen J., Morris, Dave, Hickey, Anthony J., Drewry, David H., Ekins, Sean

“…Chordoma is a devastating rare cancer that affects one in a million people. With a mean-survival of just 6 years and no approved medicines, the primary…”
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Comparing the Pfizer Central Nervous System Multiparameter Optimization Calculator and a BBB Machine Learning Model by Urbina, Fabio, Zorn, Kimberley M, Brunner, Daniela, Ekins, Sean

“…The ability to calculate whether small molecules will cross the blood–brain barrier (BBB) is an important task for companies working in neuroscience drug…”
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Ebola Virus Bayesian Machine Learning Models Enable New in Vitro Leads by Anantpadma, Manu, Lane, Thomas, Zorn, Kimberley M, Lingerfelt, Mary A, Clark, Alex M, Freundlich, Joel S, Davey, Robert A, Madrid, Peter B, Ekins, Sean

“…We have previously described the first Bayesian machine learning models from FDA-approved drug screens, for identifying compounds active against the Ebola…”
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Using Bibliometric Analysis and Machine Learning to Identify Compounds Binding to Sialidase‑1 by Klein, Jennifer J, Baker, Nancy C, Foil, Daniel H, Zorn, Kimberley M, Urbina, Fabio, Puhl, Ana C, Ekins, Sean

“…Rare diseases impact hundreds of millions of individuals worldwide. However, few therapies exist to treat the rare disease population because financial…”
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Computational Approaches to Identify Molecules Binding to Mycobacterium tuberculosis KasA by Puhl, Ana C, Lane, Thomas R, Vignaux, Patricia A, Zorn, Kimberley M, Capodagli, Glenn C, Neiditch, Matthew B, Freundlich, Joel S, Ekins, Sean

“…Tuberculosis is caused by Mycobacterium tuberculosis (Mtb) and is a deadly disease resulting in the deaths of approximately 1.5 million people with 10 million…”
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Correction to “Using Bibliometric Analysis and Machine Learning to Identify Compounds Binding to Sialidase-1” by Klein, Jennifer J, Baker, Nancy C, Foil, Daniel H, Zorn, Kimberley M, Urbina, Fabio, Puhl, Ana C, Ekins, Sean

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Comparing Multiple Machine Learning Algorithms and Metrics for Estrogen Receptor Binding Prediction by Russo, Daniel P, Zorn, Kimberley M, Clark, Alex M, Zhu, Hao, Ekins, Sean

“…Many chemicals that disrupt endocrine function have been linked to a variety of adverse biological outcomes. However, screening for endocrine disruption using…”
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Repurposing Approved Drugs as Inhibitors of Kv7.1 and Nav1.8 to Treat Pitt Hopkins Syndrome by Ekins, Sean, Gerlach, Jacob, Zorn, Kimberley M., Antonio, Brett M., Lin, Zhixin, Gerlach, Aaron

“…Purpose Pitt Hopkins Syndrome (PTHS) is a rare genetic disorder caused by mutations of a specific gene, transcription factor 4 (TCF4), located on chromosome…”
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Dispirotripiperazine-core compounds, their biological activity with a focus on broad antiviral property, and perspectives in drug design (mini-review) by Egorova, Anna, Bogner, Elke, Novoselova, Elena, Zorn, Kimberley M., Ekins, Sean, Makarov, Vadim

“…Viruses are obligate intracellular parasites and have evolved to enter the host cell. To gain access they come into contact with the host cell through an…”
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Déjà vu: Stimulating open drug discovery for SARS-CoV-2 by Ekins, Sean, Mottin, Melina, Ramos, Paulo R.P.S., Sousa, Bruna K.P., Neves, Bruno Junior, Foil, Daniel H., Zorn, Kimberley M., Braga, Rodolpho C., Coffee, Megan, Southan, Christopher, Puhl, Ana C., Andrade, Carolina Horta

“…•We describe our prior efforts in open drug discovery for Ebola and Zika virus.•We summarize the current literature for severe acute respiratory syndrome…”
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Cationic Compounds with SARS-CoV-2 Antiviral Activity and Their Interaction with Organic Cation Transporter/Multidrug and Toxin Extruder Secretory Transporters by Martinez-Guerrero, Lucy, Zhang, Xiaohong, Zorn, Kimberley M, Ekins, Sean, Wright, Stephen H

“…In the wake of the COVID-19 pandemic, drug repurposing has been highlighted for rapid introduction of therapeutics. Proposed drugs with activity against…”
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Remdesivir and EIDD-1931 Interact with Human Equilibrative Nucleoside Transporters 1 and 2: Implications for Reaching SARS-CoV-2 Viral Sanctuary Sites by Miller, Siennah R, McGrath, Meghan E, Zorn, Kimberley M, Ekins, Sean, Wright, Stephen H, Cherrington, Nathan J

“…Equilibrative nucleoside transporters (ENTs) are present at the blood-testis barrier (BTB), where they can facilitate antiviral drug disposition to eliminate a…”
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Bioactivity Comparison across Multiple Machine Learning Algorithms Using over 5000 Datasets for Drug Discovery by Lane, Thomas R, Foil, Daniel H, Minerali, Eni, Urbina, Fabio, Zorn, Kimberley M, Ekins, Sean

“…Machine learning methods are attracting considerable attention from the pharmaceutical industry for use in drug discovery and applications beyond. In recent…”
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Multiple Machine Learning Comparisons of HIV Cell-based and Reverse Transcriptase Data Sets by Zorn, Kimberley M, Lane, Thomas R, Russo, Daniel P, Clark, Alex M, Makarov, Vadim, Ekins, Sean

“…The human immunodeficiency virus (HIV) causes over a million deaths every year and has a huge economic impact in many countries. The first class of drugs…”
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Comparing and Validating Machine Learning Models for Mycobacterium tuberculosis Drug Discovery by Lane, Thomas, Russo, Daniel P, Zorn, Kimberley M, Clark, Alex M, Korotcov, Alexandru, Tkachenko, Valery, Reynolds, Robert C, Perryman, Alexander L, Freundlich, Joel S, Ekins, Sean

“…Tuberculosis is a global health dilemma. In 2016, the WHO reported 10.4 million incidences and 1.7 million deaths. The need to develop new treatments for those…”
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