"Bayes Affinity Fingerprints" Improve Retrieval Rates in Virtual Screening and Define Orthogonal Bioactivity Space: When Are Multitarget Drugs a Feasible Concept? - Andreas Bender 002; Jeremy L. Jenkins; Meir Glick; Zhan Deng; James H. Nettles; John W. Davies (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)

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)

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 002; James H. Nettles; John W. Davies; Meir Glick (J. Chem. Inf. Model., 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)

Ligand-Target Prediction Using Winnow and Naive Bayesian Algorithms and the Implications of Overall Performance Statistics. - Florian Nigsch; Andreas Bender 002; Jeremy L. Jenkins; John B. O. Mitchell (J. Chem. Inf. Model., 2008)

How Similar Are Similarity Searching Methods? A Principal Component Analysis of Molecular Descriptor Space. - Andreas Bender 002; Jeremy L. Jenkins; Josef Scheiber; Sai Chetan K. Sukuru; Meir Glick; John W. Davies (J. Chem. Inf. Model., 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 002; Dmitri Mikhailov; Steven Whitebread; Jacques Hamon; Kamal Azzaoui; Laszlo Urban; Meir Glick; John W. Davies; et al. (J. Chem. Inf. Model., 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 001; Jeremy L. Jenkins; Andreas Bender 002 (Stat. Anal. Data Min., 2009)

SPREAD - exploiting chemical features that cause differential activity behavior. - Josef Scheiber; Jeremy L. Jenkins; Andreas Bender 002; Mariusz Milik; Dmitri Mikhailov; Sai Chetan K. Sukuru; Ben Cornett; Steven Whitebread; Laszlo Urban; John W. Davies; Meir Glick (Stat. Anal. Data Min., 2009)

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)

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)

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)

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 002; Florian Nigsch (J. Chem. Inf. Model., 2016)

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)

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; et al. (PLoS Comput. Biol., 2020)

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)

Compound Activity Prediction with Dose-Dependent Transcriptomic Profiles and Deep Learning. - 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 (J. Chem. Inf. Model., 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, 2024)