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ORCIDJeremy L. Jenkins
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2020 – today
- 2024
[j19]Lingling Shen
, Jian Fang, Lulu Liu, Fei Yang, Jeremy L. Jenkins, Peter S. Kutchukian, He Wang:
Pocket Crafter: a 3D generative modeling based workflow for the rapid generation of hit molecules in drug discovery. J. Cheminformatics 16(1): 33 (2024)- [j18]William J. Godinez, Vladimir Trifonov, Bin Fang, Guray Kuzu, Luying Pei, W. Armand Guiguemde, Eric J. Martin, Frederick J. King, Jeremy L. Jenkins, Peter Skewes-Cox:
Compound Activity Prediction with Dose-Dependent Transcriptomic Profiles and Deep Learning. J. Chem. Inf. Model. 64(7): 2695-2704 (2024) - 2022
- [j17]William J. Godinez, Eric J. Ma, Alexander T. Chao, Luying Pei, Peter Skewes-Cox, Stephen M. Canham, Jeremy L. Jenkins, Joseph M. Young, Eric J. Martin, Armand Guiguemde:
Design of potent antimalarials with generative chemistry. Nat. Mach. Intell. 4(2): 180-186 (2022) - 2020
- [j16]Enrico Ferrero, Sophie Brachat, Jeremy L. Jenkins, Philippe Marc, Peter Skewes-Cox, Robert C. Altshuler, Caroline Gubser Keller, Audrey Kauffmann, Erik K. Sassaman, Jason M. Laramie, Birgit Schoeberl, Mark L. Borowsky, Nikolaus Stiefl:
Ten simple rules to power drug discovery with data science. PLoS Comput. Biol. 16(8) (2020)
2010 – 2019
- 2019
- [j15]Abby Hill, Scott Gleim, Florian Kiefer, Frederic Sigoillot, Joseph Loureiro, Jeremy L. Jenkins, Melody K. Morris:
Benchmarking network algorithms for contextualizing genes of interest. PLoS Comput. Biol. 15(12) (2019) - 2016
- [j14]Shardul Paricharak, Adriaan P. IJzerman, Jeremy L. Jenkins, Andreas Bender, Florian Nigsch:
Data-Driven Derivation of an "Informer Compound Set" for Improved Selection of Active Compounds in High-Throughput Screening. J. Chem. Inf. Model. 56(9): 1622-1630 (2016) - 2014
- [j13]Sereina Riniker, Yuan Wang, Jeremy L. Jenkins, Gregory A. Landrum:
Using Information from Historical High-Throughput Screens to Predict Active Compounds. J. Chem. Inf. Model. 54(7): 1880-1891 (2014) - 2012
- [j12]Florian Nigsch, Janna Hutz, Ben Cornett, Douglas W. Selinger, Gregory McAllister, Somnath Bandyopadhyay, Joseph Loureiro, Jeremy L. Jenkins:
Determination of minimal transcriptional signatures of compounds for target prediction. EURASIP J. Bioinform. Syst. Biol. 2012: 2 (2012) - 2011
- [j11]Eugen Lounkine, Florian Nigsch, Jeremy L. Jenkins, Meir Glick:
Activity-Aware Clustering of High Throughput Screening Data and Elucidation of Orthogonal Structure-Activity Relationships. J. Chem. Inf. Model. 51(12): 3158-3168 (2011)
2000 – 2009
- 2009
- [j10]Andreas Bender, Jeremy L. Jenkins, Josef Scheiber, Sai Chetan K. Sukuru, Meir Glick, John W. Davies:
How Similar Are Similarity Searching Methods? A Principal Component Analysis of Molecular Descriptor Space. J. Chem. Inf. Model. 49(1): 108-119 (2009) - [j9]Josef Scheiber, Bin Chen, Mariusz Milik, Sai Chetan K. Sukuru, Andreas Bender, Dmitri Mikhailov, Steven Whitebread, Jacques Hamon, Kamal Azzaoui, Laszlo Urban, Meir Glick, John W. Davies, Jeremy L. Jenkins:
Gaining Insight into Off-Target Mediated Effects of Drug Candidates with a Comprehensive Systems Chemical Biology Analysis. J. Chem. Inf. Model. 49(2): 308-317 (2009) - [j8]Josef Scheiber, Jeremy L. Jenkins, Andreas Bender, Mariusz Milik, Dmitri Mikhailov, Sai Chetan K. Sukuru, Ben Cornett, Steven Whitebread, Laszlo Urban, John W. Davies, Meir Glick:
SPREAD - exploiting chemical features that cause differential activity behavior. Stat. Anal. Data Min. 2(2): 115-122 (2009) - [j7]Munikumar R. Doddareddy, Gerard J. P. van Westen, Eelke van der Horst, Julio E. Peironcely, Frans Corthals, Adriaan P. IJzerman, Michael Emmerich, Jeremy L. Jenkins, Andreas Bender:
Chemogenomics: Looking at biology through the lens of chemistry. Stat. Anal. Data Min. 2(3): 149-160 (2009) - 2008
- [j6]Florian Nigsch, Andreas Bender, Jeremy L. Jenkins, John B. O. Mitchell:
Ligand-Target Prediction Using Winnow and Naive Bayesian Algorithms and the Implications of Overall Performance Statistics. J. Chem. Inf. Model. 48(12): 2313-2325 (2008) - 2007
- [j5]Ansgar Schuffenhauer, Nathan Brown, Peter Ertl, Jeremy L. Jenkins, Paul Selzer, Jacques Hamon:
Clustering and Rule-Based Classifications of Chemical Structures Evaluated in the Biological Activity Space. J. Chem. Inf. Model. 47(2): 325-336 (2007) - [j4]Thomas J. Crisman, Christian N. Parker, Jeremy L. Jenkins, Josef Scheiber, Mathis Thoma, Zhao Bin Kang, Richard Kim, Andreas Bender, James H. Nettles, John W. Davies, Meir Glick:
Understanding False Positives in Reporter Gene Assays: in Silico Chemogenomics Approaches To Prioritize Cell-Based HTS Data. J. Chem. Inf. Model. 47(4): 1319-1327 (2007) - 2006
- [j3]Meir Glick, Jeremy L. Jenkins, James H. Nettles, Hamilton Hitchings, John W. Davies:
Enrichment of High-Throughput Screening Data with Increasing Levels of Noise Using Support Vector Machines, Recursive Partitioning, and Laplacian-Modified Naive Bayesian Classifiers. J. Chem. Inf. Model. 46(1): 193-200 (2006) - [j2]Nidhi, Meir Glick, John W. Davies, Jeremy L. Jenkins:
Prediction of Biological Targets for Compounds Using Multiple-Category Bayesian Models Trained on Chemogenomics Databases. J. Chem. Inf. Model. 46(3): 1124-1133 (2006) - [j1]Andreas Bender, Jeremy L. Jenkins, Meir Glick, Zhan Deng, James H. Nettles, John W. Davies:
"Bayes Affinity Fingerprints" Improve Retrieval Rates in Virtual Screening and Define Orthogonal Bioactivity Space: When Are Multitarget Drugs a Feasible Concept? J. Chem. Inf. Model. 46(6): 2445-2456 (2006)
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