Jeremy L. Jenkins

Orcid: 0000-0001-9795-0771

According to our database1, Jeremy L. Jenkins authored at least 19 papers between 2006 and 2024.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

Legend:

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Bibliography

2024
Pocket Crafter: a 3D generative modeling based workflow for the rapid generation of hit molecules in drug discovery.
J. Cheminformatics, December, 2024

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

2022
Design of potent antimalarials with generative chemistry.
Nat. Mach. Intell., 2022

2020
Ten simple rules to power drug discovery with data science.
PLoS Comput. Biol., 2020

2019
Benchmarking network algorithms for contextualizing genes of interest.
PLoS Comput. Biol., 2019

2016
Data-Driven Derivation of an "Informer Compound Set" for Improved Selection of Active Compounds in High-Throughput Screening.
J. Chem. Inf. Model., 2016

2014
Using Information from Historical High-Throughput Screens to Predict Active Compounds.
J. Chem. Inf. Model., 2014

2012
Determination of minimal transcriptional signatures of compounds for target prediction.
EURASIP J. Bioinform. Syst. Biol., 2012

2011
Activity-Aware Clustering of High Throughput Screening Data and Elucidation of Orthogonal Structure-Activity Relationships.
J. Chem. Inf. Model., 2011

2009
SPREAD - exploiting chemical features that cause differential activity behavior.
Stat. Anal. Data Min., 2009

Chemogenomics: Looking at biology through the lens of chemistry.
Stat. Anal. Data Min., 2009

Gaining Insight into Off-Target Mediated Effects of Drug Candidates with a Comprehensive Systems Chemical Biology Analysis.
J. Chem. Inf. Model., 2009

How Similar Are Similarity Searching Methods? A Principal Component Analysis of Molecular Descriptor Space.
J. Chem. Inf. Model., 2009

2008
Ligand-Target Prediction Using Winnow and Naive Bayesian Algorithms and the Implications of Overall Performance Statistics.
J. Chem. Inf. Model., 2008

2007
Clustering and Rule-Based Classifications of Chemical Structures Evaluated in the Biological Activity Space.
J. Chem. Inf. Model., 2007

Understanding False Positives in Reporter Gene Assays: in Silico Chemogenomics Approaches To Prioritize Cell-Based HTS Data.
J. Chem. Inf. Model., 2007

2006
Prediction of Biological Targets for Compounds Using Multiple-Category Bayesian Models Trained on Chemogenomics Databases.
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.
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?
J. Chem. Inf. Model., 2006


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