Jeremy L. Jenkins

Publication Activity (10 Years)

Years Active: 2006-2024
Publications (10 Years): 6

Top Topics

High Throughput

Top Venues

J. Chem. Inf. Model.

PLoS Comput. Biol.

J. Cheminformatics

Nat. Mach. Intell.

Publications

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) (2024)
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) (2024)
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) (2022)
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)
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)
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) (2016)
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) (2014)
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 (2012)
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) (2011)
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) (2009)
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) (2009)
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) (2009)
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) (2009)
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) (2008)
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) (2007)
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) (2007)
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) (2006)
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) (2006)
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) (2006)