Jeremy L. Jenkins

19 papers Journal 19
YearRankTypeTitle / Venue / Authors
2024 J jnl
Compound Activity Prediction with Dose-Dependent Transcriptomic Profiles and Deep Learning.
J. Chem. Inf. Model.
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
2024 J jnl
Pocket Crafter: a 3D generative modeling based workflow for the rapid generation of hit molecules in drug discovery.
J. Cheminformatics
Lingling Shen, Jian Fang, Lulu Liu, Fei Yang, Jeremy L. Jenkins, Peter S. Kutchukian, He Wang
2022 J jnl
Design of potent antimalarials with generative chemistry.
Nat. Mach. Intell.
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
2020 J jnl
Ten simple rules to power drug discovery with data science.
PLoS Comput. Biol.
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
2019 J jnl
Benchmarking network algorithms for contextualizing genes of interest.
PLoS Comput. Biol.
Abby Hill, Scott Gleim, Florian Kiefer, Frederic Sigoillot, Joseph Loureiro, Jeremy L. Jenkins, Melody K. Morris
2016 J jnl
Data-Driven Derivation of an "Informer Compound Set" for Improved Selection of Active Compounds in High-Throughput Screening.
J. Chem. Inf. Model.
Shardul Paricharak, Adriaan P. IJzerman, Jeremy L. Jenkins, Andreas Bender, Florian Nigsch
2014 J jnl
Using Information from Historical High-Throughput Screens to Predict Active Compounds.
J. Chem. Inf. Model.
Sereina Riniker, Yuan Wang, Jeremy L. Jenkins, Gregory A. Landrum
2012 J jnl
Determination of minimal transcriptional signatures of compounds for target prediction.
EURASIP J. Bioinform. Syst. Biol.
Florian Nigsch, Janna Hutz, Ben Cornett, Douglas W. Selinger, Gregory McAllister, Somnath Bandyopadhyay, Joseph Loureiro, Jeremy L. Jenkins
2011 J jnl
Activity-Aware Clustering of High Throughput Screening Data and Elucidation of Orthogonal Structure-Activity Relationships.
J. Chem. Inf. Model.
Eugen Lounkine, Florian Nigsch, Jeremy L. Jenkins, Meir Glick
2009 J jnl
Chemogenomics: Looking at biology through the lens of chemistry.
Stat. Anal. Data Min.
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
2009 J jnl
Gaining Insight into Off-Target Mediated Effects of Drug Candidates with a Comprehensive Systems Chemical Biology Analysis.
J. Chem. Inf. Model.
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
2009 J jnl
How Similar Are Similarity Searching Methods? A Principal Component Analysis of Molecular Descriptor Space.
J. Chem. Inf. Model.
Andreas Bender, Jeremy L. Jenkins, Josef Scheiber, Sai Chetan K. Sukuru, Meir Glick, John W. Davies
2009 J jnl
SPREAD - exploiting chemical features that cause differential activity behavior.
Stat. Anal. Data Min.
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
2008 J jnl
Ligand-Target Prediction Using Winnow and Naive Bayesian Algorithms and the Implications of Overall Performance Statistics.
J. Chem. Inf. Model.
Florian Nigsch, Andreas Bender, Jeremy L. Jenkins, John B. O. Mitchell
2007 J jnl
Clustering and Rule-Based Classifications of Chemical Structures Evaluated in the Biological Activity Space.
J. Chem. Inf. Model.
Ansgar Schuffenhauer, Nathan Brown, Peter Ertl, Jeremy L. Jenkins, Paul Selzer, Jacques Hamon
2007 J jnl
Understanding False Positives in Reporter Gene Assays: in Silico Chemogenomics Approaches To Prioritize Cell-Based HTS Data.
J. Chem. Inf. Model.
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
2006 J jnl
"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.
Andreas Bender, Jeremy L. Jenkins, Meir Glick, Zhan Deng, James H. Nettles, John W. Davies
2006 J jnl
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.
Meir Glick, Jeremy L. Jenkins, James H. Nettles, Hamilton Hitchings, John W. Davies
2006 J jnl
Prediction of Biological Targets for Compounds Using Multiple-Category Bayesian Models Trained on Chemogenomics Databases.
J. Chem. Inf. Model.
Nidhi, Meir Glick, John W. Davies, Jeremy L. Jenkins