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P

Peter Gedeck

university of virginia

29H指数
90论文数
2.8K被引数
收录论文 27
发表时间
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Befitting Bootstrap Analysis: The Effect of Imbalance适用于Bootstrap分析：不平衡的影响
errApplied Stochastic Models in Business and Industry
IF1.5
err2026-05-01
err0
PREAI
errKenett, Ron S.; Gedeck, Peter
err分享
err收藏
Using Machine Learning to Parse Chemical Mixture Descriptions
errACS OMEGA
IF4.3
err2021-08-18
err3
errOAAI
errClark, Alex M.; Gedeck, Peter; Cheung, Philip P.; Bunin, Barry A.
err分享
err收藏
Prediction of pKa Using Machine Learning Methods with Rooted Topological Torsion Fingerprints: Application to Aliphatic Amines
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
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
err分享
err收藏
Capturing mixture composition: an open machine-readable format for representing mixed substances
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2019-05-23
err13
errOAAI
errClark, Alex M.; McEwen, Leah R.; Gedeck, Peter; Bunin, Barry A.
err分享
err收藏
Development of a Cytopathic Effect-Based Phenotypic Screening Assay against Cryptosporidium
errACS INFECTIOUS DISEASES
IF3.8
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.
err分享
err收藏
. Developing Collaborative QSAR Models Without Sharing Structures
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2017-07-25
err8
PREAI
errGedeck, Peter; Skolnik, Suzanne; Rodde, Stephane
err分享
err收藏
Shared Consensus Machine Learning Models for Predicting Blood Stage Malaria Inhibition
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
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
err分享
err收藏
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.
err分享
err收藏
Benefit of Retraining pKa Models Studied Using Internally Measured Data
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
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
err分享
err收藏
FOCUS - Development of a Global Communication and Modeling Platform for Applied and Computational Medicinal Chemists
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
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
err分享
err收藏
Matched Molecular Pair Analysis: Significance and the Impact of Experimental Uncertainty
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2014-04-16
err52
PREAI
errKramer, Christian; Fuchs, Julian E.; Whitebread, Steven; Gedeck, Peter; Liedl, Klaus R.
err分享
err收藏
Deriving Static Atomic Multipoles from the Electrostatic Potential
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2013-12-05
err29
PREAI
errKramer, Christian; Bereau, Tristan; Spinn, Alexander; Liedl, Klaus R.; Gedeck, Peter; Meuwly, Markus
err分享
err收藏
Multipole-Based Force Fields from ab Initio Interaction Energies and the Need for Jointly Refitting All Intermolecular Parameters
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2013-02-15
err42
PREAI
errKramer, Christian; Gedeck, Peter; Meuwly, Markus
err分享
err收藏
The Experimental Uncertainty of Heterogeneous Public Ki Data
errJOURNAL OF MEDICINAL CHEMISTRY
IF6.8
err2012-05-29
err172
PREAI
errKramer, Christian; Kalliokoski, Tuomo; Gedeck, Peter; Vulpetti, Anna
err分享
err收藏
Atomic multipoles: Electrostatic potential fit, local reference axis systems, and conformational dependence原子多极: 静电势拟合，局部参考轴系统和构象依赖性
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2012-04-28
err65
PREAI
errKramer, Christian; Gedeck, Peter; Meuwly, Markus
err分享
err收藏
Three Descriptor Model Sets a High Standard for the CSAR-NRC HiQ Benchmark
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2011-06-27
err8
PREAI
errKramer, Christian; Gedeck, Peter
err分享
err收藏
Avoidance of the Ames test liability for aryl-amines via computation
errBIOORGANIC & MEDICINAL CHEMISTRY
IF3
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
err分享
err收藏
Global Free Energy Scoring Functions Based on Distance-Dependent Atom-Type Pair Descriptors
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2011-02-22
err22
PREAI
errKramer, Christian; Gedeck, Peter
err分享
err收藏
Leave-Cluster-Out Cross-Validation Is Appropriate for Scoring Functions Derived from Diverse Protein Data Sets
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2010-10-12
err82
PREAI
errKramer, Christian; Gedeck, Peter
err分享
err收藏
CGH2466, a combined adenosine receptor antagonist, p38 mitogen-activated protein kinase and phosphodiesterase type 4 inhibitor with potent in vitro and in vivo anti-inflammatory activities
errBRITISH JOURNAL OF PHARMACOLOGY
IF7.7
err2009-01-29
err29
errOAAI
errTrifilieff, A; Keller, TH; Press, NJ; Howe, T; Gedeck, P; Beer, D; Walker, C
err分享
err收藏

研究方向

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