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Peter Gedeck

university of virginia

29H-index
90Paper Count
2.8KCitation Count
Published Papers 27
Publication Date
Using Machine Learning to Parse Chemical Mixture Descriptions
err2021-08-18
err3
errOAAI
errClark, Alex M.; Gedeck, Peter; Cheung, Philip P.; Bunin, Barry A.
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Prediction of pKa Using Machine Learning Methods with Rooted Topological Torsion Fingerprints: Application to Aliphatic Amines
err2019-10-24
err29
PREAI
errLu, Yipin; Anand, Shankara; Shirley, William; Gedeck, Peter; Kelley, Brian P.; Skolnik, Suzanne; Rodde, Stephane; Mai Nguyen; Lindvall, Mika; Jia, Weiping
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Capturing mixture composition: an open machine-readable format for representing mixed substances
err2019-05-23
err13
errOAAI
errClark, Alex M.; McEwen, Leah R.; Gedeck, Peter; Bunin, Barry A.
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Development of a Cytopathic Effect-Based Phenotypic Screening Assay against Cryptosporidium
err2018-01-17
err12
PREAI
errChao, Alexander T.; Lee, Boon Heng; Wan, Kah Fei; Selva, Jeremy; Zou, Bin; Gedeck, Peter; Beer, David John; Diagana, Thierry T.; Bonamy, Ghislain M. C.; Manjunatha, Ujjini H.
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Shared Consensus Machine Learning Models for Predicting Blood Stage Malaria Inhibition
err2017-03-17
err19
PREAI
errVerras, Andreas; Waller, Chris L.; Gedeck, Peter; Green, Darren V. S.; Kogej, Thierry; Raichurkar, Anandkumar; Panda, Manoranjan; Shelat, Anang A.; Clark, Julie; Guy, R. Kiplin; Papadatos, George; Burrows, Jeremy
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Mutations in the Plasmodium falciparum Cyclic Amine Resistance Locus (PfCARL) Confer Multidrug Resistance
errMBIO
IF4.7
err2016-09-07
err56
errOAAI
errLaMonte, Gregory; Lim, Michelle Yi-Xiu; Wree, Melanie; Reimer, Christin; Nachon, Marie; Corey, Victoria; Gedeck, Peter; Plouffe, David; Du, Alan; Figueroa, Nelissa; Yeung, Bryan; Bifani, Pablo; Winzeler, Elizabeth A.
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Benefit of Retraining pKa Models Studied Using Internally Measured Data
err2015-06-29
err19
PREAI
errGedeck, Peter; Lu, Yipin; Skolnik, Suzanne; Rodde, Stephane; Dollinger, Gavin; Jia, Weiping; Berellin, Giuliano; Vianello, Riccardo; Faller, Bernard; Lombardo, Franco
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FOCUS - Development of a Global Communication and Modeling Platform for Applied and Computational Medicinal Chemists
err2015-04-13
err18
PREAI
errStiefl, Nikolaus; Gedeck, Peter; Chin, Donovan; Hunt, Peter; Lindvall, Mika; Spiegel, Katrin; Springer, Clayton; Biller, Scott; Buenemann, Christoph; Kanazawa, Takanori; Kato, Mitsunori; Lewis, Richard; Martin, Eric; Polyakov, Valery; Tommasi, Ruben; van Drie, John; Vash, Brian; Whitehead, Lewis; Xu, Yongjin; Abagyan, Ruben; Raush, Eugene; Totrov, Max
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Matched Molecular Pair Analysis: Significance and the Impact of Experimental Uncertainty
err2014-04-16
err52
PREAI
errKramer, Christian; Fuchs, Julian E.; Whitebread, Steven; Gedeck, Peter; Liedl, Klaus R.
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Deriving Static Atomic Multipoles from the Electrostatic Potential
err2013-12-05
err29
PREAI
errKramer, Christian; Bereau, Tristan; Spinn, Alexander; Liedl, Klaus R.; Gedeck, Peter; Meuwly, Markus
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The Experimental Uncertainty of Heterogeneous Public Ki Data
err2012-05-29
err172
PREAI
errKramer, Christian; Kalliokoski, Tuomo; Gedeck, Peter; Vulpetti, Anna
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Avoidance of the Ames test liability for aryl-amines via computation
err2011-05-01
err26
PREAI
errMcCarren, Patrick; Bebernitz, Gregory R.; Gedeck, Peter; Glowienke, Susanne; Grondine, Melissa S.; Kirman, Louise C.; Klickstein, Jacob; Schuster, Herbert F.; Whitehead, Lewis
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