Evaluating kratom alkaloids using PHASE
Ellis, Christopher R, Racz, Rebecca, Kruhlak, Naomi L, Kim, Marlene T, Zakharov, Alexey V, Southall, Noel, Hawkins, Edward G, Burkhart, Keith, Strauss, David G, Stavitskaya, Lidiya
Published in PloS one (03.03.2020)
Published in PloS one (03.03.2020)
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Journal Article
Development of QSAR models to predict blood-brain barrier permeability
Faramarzi, Sadegh, Kim, Marlene T., Volpe, Donna A., Cross, Kevin P., Chakravarti, Suman, Stavitskaya, Lidiya
Published in Frontiers in pharmacology (20.10.2022)
Published in Frontiers in pharmacology (20.10.2022)
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Journal Article
Developing Enhanced Blood–Brain Barrier Permeability Models: Integrating External Bio-Assay Data in QSAR Modeling
Wang, Wenyi, Kim, Marlene T., Sedykh, Alexander, Zhu, Hao
Published in Pharmaceutical research (01.09.2015)
Published in Pharmaceutical research (01.09.2015)
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Journal Article
In silico toxicology protocols
Myatt, Glenn J, Ahlberg, Ernst, Akahori, Yumi, Allen, David, Amberg, Alexander, Anger, Lennart T, Aptula, Aynur, Auerbach, Scott, Beilke, Lisa, Bellion, Phillip, Benigni, Romualdo, Bercu, Joel, Booth, Ewan D, Bower, Dave, Brigo, Alessandro, Burden, Natalie, Cammerer, Zoryana, Cronin, Mark T D, Cross, Kevin P, Custer, Laura, Dettwiler, Magdalena, Dobo, Krista, Ford, Kevin A, Fortin, Marie C, Gad-McDonald, Samantha E, Gellatly, Nichola, Gervais, Véronique, Glover, Kyle P, Glowienke, Susanne, Van Gompel, Jacky, Gutsell, Steve, Hardy, Barry, Harvey, James S, Hillegass, Jedd, Honma, Masamitsu, Hsieh, Jui-Hua, Hsu, Chia-Wen, Hughes, Kathy, Johnson, Candice, Jolly, Robert, Jones, David, Kemper, Ray, Kenyon, Michelle O, Kim, Marlene T, Kruhlak, Naomi L, Kulkarni, Sunil A, Kümmerer, Klaus, Leavitt, Penny, Majer, Bernhard, Masten, Scott, Miller, Scott, Moser, Janet, Mumtaz, Moiz, Muster, Wolfgang, Neilson, Louise, Oprea, Tudor I, Patlewicz, Grace, Paulino, Alexandre, Lo Piparo, Elena, Powley, Mark, Quigley, Donald P, Reddy, M Vijayaraj, Richarz, Andrea-Nicole, Ruiz, Patricia, Schilter, Benoit, Serafimova, Rositsa, Simpson, Wendy, Stavitskaya, Lidiya, Stidl, Reinhard, Suarez-Rodriguez, Diana, Szabo, David T, Teasdale, Andrew, Trejo-Martin, Alejandra, Valentin, Jean-Pierre, Vuorinen, Anna, Wall, Brian A, Watts, Pete, White, Angela T, Wichard, Joerg, Witt, Kristine L, Woolley, Adam, Woolley, David, Zwickl, Craig, Hasselgren, Catrin
Published in Regulatory toxicology and pharmacology (01.07.2018)
Published in Regulatory toxicology and pharmacology (01.07.2018)
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Journal Article
Transitioning to composite bacterial mutagenicity models in ICH M7 (Q)SAR analyses
Landry, Curran, Kim, Marlene T., Kruhlak, Naomi L., Cross, Kevin P., Saiakhov, Roustem, Chakravarti, Suman, Stavitskaya, Lidiya
Published in Regulatory toxicology and pharmacology (01.12.2019)
Published in Regulatory toxicology and pharmacology (01.12.2019)
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Journal Article
CIIPro: a new read-across portal to fill data gaps using public large-scale chemical and biological data
Russo, Daniel P, Kim, Marlene T, Wang, Wenyi, Pinolini, Daniel, Shende, Sunil, Strickland, Judy, Hartung, Thomas, Zhu, Hao
Published in Bioinformatics (Oxford, England) (01.02.2017)
Published in Bioinformatics (Oxford, England) (01.02.2017)
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Journal Article
Assessing the Structural and Pharmacological Similarity of Newly Identified Drugs of Abuse to Controlled Substances Using Public Health Assessment via Structural Evaluation
Ellis, Christopher R., Racz, Rebecca, Kruhlak, Naomi L., Kim, Marlene T., Hawkins, Edward G., Strauss, David G., Stavitskaya, Lidiya
Published in Clinical pharmacology and therapeutics (01.07.2019)
Published in Clinical pharmacology and therapeutics (01.07.2019)
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Journal Article
Assessing the impact of expert knowledge on ICH M7 (Q)SAR predictions. Is expert review still needed?
Jayasekara, P. Suresh, Skanchy, Sophie K., Kim, Marlene T., Kumaran, Govindaraj, Mugabe, Benon E., Woodard, Lauren E., Yang, Jian, Zych, Andrew J., Kruhlak, Naomi L.
Published in Regulatory toxicology and pharmacology (01.10.2021)
Published in Regulatory toxicology and pharmacology (01.10.2021)
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Journal Article
Design, synthesis and experimental validation of novel potential chemopreventive agents using random forest and support vector machine binary classifiers
Sprague, Brienne, Shi, Qian, Kim, Marlene T., Zhang, Liying, Sedykh, Alexander, Ichiishi, Eiichiro, Tokuda, Harukuni, Lee, Kuo-Hsiung, Zhu, Hao
Published in Journal of computer-aided molecular design (01.06.2014)
Published in Journal of computer-aided molecular design (01.06.2014)
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Journal Article
In silico approaches in organ toxicity hazard assessment: Current status and future needs in predicting liver toxicity
Bassan, Arianna, Alves, Vinicius M., Amberg, Alexander, Anger, Lennart T., Auerbach, Scott, Beilke, Lisa, Bender, Andreas, Cronin, Mark T.D., Cross, Kevin P., Hsieh, Jui-Hua, Greene, Nigel, Kemper, Raymond, Kim, Marlene T., Mumtaz, Moiz, Noeske, Tobias, Pavan, Manuela, Pletz, Julia, Russo, Daniel P., Sabnis, Yogesh, Schaefer, Markus, Szabo, David T., Valentin, Jean-Pierre, Wichard, Joerg, Williams, Dominic, Woolley, David, Zwickl, Craig, Myatt, Glenn J.
Published in Computational toxicology (01.11.2021)
Published in Computational toxicology (01.11.2021)
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