Jeremy L. Jenkins

According to our database, Jeremy L. Jenkins authored at least 18 papers between 2006 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

Pocket Crafter: a 3D generative modeling based workflow for the rapid generation of hit molecules in drug discovery.

Lingling Shen, Jian Fang, Lulu Liu, Fei Yang, Jeremy L. Jenkins, Peter S. Kutchukian, He Wang

J. Cheminformatics, December, 2024

2022

Design of potent antimalarials with generative chemistry.

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

Nat. Mach. Intell., 2022

2020

Ten simple rules to power drug discovery with data science.

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

PLoS Comput. Biol., 2020

2019

Benchmarking network algorithms for contextualizing genes of interest.

Abby Hill, Scott Gleim, Florian Kiefer, Frederic Sigoillot, Joseph Loureiro, Jeremy L. Jenkins, Melody K. Morris

PLoS Comput. Biol., 2019

2016

Data-Driven Derivation of an "Informer Compound Set" for Improved Selection of Active Compounds in High-Throughput Screening.

Shardul Paricharak, Adriaan P. IJzerman, Jeremy L. Jenkins, Andreas Bender, Florian Nigsch

J. Chem. Inf. Model., 2016

2014

Using Information from Historical High-Throughput Screens to Predict Active Compounds.

Sereina Riniker, Yuan Wang, Jeremy L. Jenkins, Gregory A. Landrum

J. Chem. Inf. Model., 2014

2012

Determination of minimal transcriptional signatures of compounds for target prediction.

Florian Nigsch, Janna Hutz, Ben Cornett, Douglas W. Selinger, Gregory McAllister, Somnath Bandyopadhyay, Joseph Loureiro, Jeremy L. Jenkins

EURASIP J. Bioinform. Syst. Biol., 2012

2011

Activity-Aware Clustering of High Throughput Screening Data and Elucidation of Orthogonal Structure-Activity Relationships.

Eugen Lounkine, Florian Nigsch, Jeremy L. Jenkins, Meir Glick

J. Chem. Inf. Model., 2011

2009

SPREAD - exploiting chemical features that cause differential activity behavior.

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

Stat. Anal. Data Min., 2009

Chemogenomics: Looking at biology through the lens of chemistry.

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

Stat. Anal. Data Min., 2009

Gaining Insight into Off-Target Mediated Effects of Drug Candidates with a Comprehensive Systems Chemical Biology Analysis.

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

J. Chem. Inf. Model., 2009

How Similar Are Similarity Searching Methods? A Principal Component Analysis of Molecular Descriptor Space.

Andreas Bender, Jeremy L. Jenkins, Josef Scheiber, Sai Chetan K. Sukuru, Meir Glick, John W. Davies

J. Chem. Inf. Model., 2009

2008

Ligand-Target Prediction Using Winnow and Naive Bayesian Algorithms and the Implications of Overall Performance Statistics.

Florian Nigsch, Andreas Bender, Jeremy L. Jenkins, John B. O. Mitchell

J. Chem. Inf. Model., 2008

2007

Clustering and Rule-Based Classifications of Chemical Structures Evaluated in the Biological Activity Space.

Ansgar Schuffenhauer, Nathan Brown, Peter Ertl, Jeremy L. Jenkins, Paul Selzer, Jacques Hamon

J. Chem. Inf. Model., 2007

Understanding False Positives in Reporter Gene Assays: in Silico Chemogenomics Approaches To Prioritize Cell-Based HTS Data.

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

J. Chem. Inf. Model., 2007

2006

Prediction of Biological Targets for Compounds Using Multiple-Category Bayesian Models Trained on Chemogenomics Databases.

Nidhi, Meir Glick, John W. Davies, Jeremy L. Jenkins

J. Chem. Inf. Model., 2006

Enrichment of High-Throughput Screening Data with Increasing Levels of Noise Using Support Vector Machines, Recursive Partitioning, and Laplacian-Modified Naive Bayesian Classifiers.

Meir Glick, Jeremy L. Jenkins, James H. Nettles, Hamilton Hitchings, John W. Davies

J. Chem. Inf. Model., 2006

"Bayes Affinity Fingerprints" Improve Retrieval Rates in Virtual Screening and Define Orthogonal Bioactivity Space: When Are Multitarget Drugs a Feasible Concept?

Andreas Bender, Jeremy L. Jenkins, Meir Glick, Zhan Deng, James H. Nettles, John W. Davies

J. Chem. Inf. Model., 2006