Author

Carlos Barajas

Johns Hopkins UniversityPrimary ORCID profile (0000-0002-7980-1454 · 3 papers)Unclaimed ORCID profile · follow to get notified of new preprints

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Same name, identified by ORCID

Carlos BarajasiD3 papers · Massachusetts Institute of Technology

Biology Disciplines

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Biochemistry· 1 Bioengineering· 1

Signature Assays, Organisms & Methods

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Approach:deep learning· 2 Research Focus:drug response / drug discovery· 2 Approach:diffusion model· 1 Organism:human· 1 Approach:variational autoencoder· 1

Frequent Co-Authors

Daniel JimeneziD· 1 shared Evan Lloyd· 1 shared Laura J. DunphyiD· 1 shared Luke C. MullanyiD· 1 shared Olivia N. TiburziiD· 1 shared William K Clay· 1 shared

Activity by Year

2026-2026 · peak 2/yr

Co-Author Collaboration Network

6 top collaborators · 7 mutual co-author links

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1 shared paperBioengineering

Daniel JimenezORCID

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2 papers

Recent·Most cited

Pocket-Conditioned Generation and Down-Selection of Non-Oxime Reactivators

Daniel Jimenez, William K Clay, Carlos Barajas

This paper compares generative models for designing non-oxime reactivators of paraoxon-inhibited acetylcholinesterase, finding that down-selection methods outperform DrugDiff in practical drug-likeness and synthesis feasibility.

bioRxiv · Oct 13, 2026 · PreprintBioengineering

Machine Learning for Toxicity Prediction in Low-Sample Molecular Classes

Carlos Barajas, Laura J. Dunphy, Luke C. Mullany, Olivia N. Tiburzi, Evan Lloyd

The paper proposes a framework to improve toxicity prediction for small molecular classes by fine-tuning a general model on class-specific data, outperforming classical methods and the EPA TEST tool.

bioRxiv · Sep 18, 2026 · PreprintBiochemistry