Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

James Wellnitz

10PUBLICATIONS

50CO-AUTHORS

Cheminformatics and quantitative structure-activity relationshipsEvolutionary computationRequirements engineeringBiomolecular modelling and designSatisfiability and optimisation

Featured researcher

Get your video featured.

Publish with JoVE

Featured researcher

Get your video featured.

Publish with JoVE

Publications (10)

Sort by Publication Date:

|Nov 19, 2025

Expansion of DNA-Encoded Library Hits Using Generative Chemistry and Ultra-Large Compound Catalogs.

Brandon Novy, Shu-Hang Lin, Devan J Shell

|Oct 06, 2025

Enabling Open Machine Learning of Deoxyribonucleic Acid-Encoded Library Selections to Accelerate the Discovery of Small Molecule Protein Binders.

James Wellnitz, Shabbir Ahmad, Nabin Bagale

|Mar 10, 2025

Open-Source DNA-Encoded Library informatics Package for Design, Decoding, and Analysis: DELi.

James Wellnitz, Brandon Novy, Travis Maxfield

|Nov 26, 2024

A Novel Machine Learning Model and a Web Portal for Predicting the Human Skin Sensitization Effects of Chemical Agents.

Ricardo Scheufen Tieghi, José Teófilo Moreira-Filho, Holli-Joi Martin

|Jul 04, 2024

A data science roadmap for open science organizations engaged in early-stage drug discovery.

Kristina Edfeldt, Aled M Edwards, Ola Engkvist

|May 20, 2024

STOPLIGHT: A Hit Scoring Calculator.

James Wellnitz, Holli-Joi Martin, Mohammad Anwar Hossain

Pageof 2

Frequent Collaborators

6 joint publications

Alexander Tropsha

4 joint publications

Eugene N Muratov

4 joint publications

Konstantin I Popov

3 joint publications

Marielle Rath

3 joint publications

Timothy M Willson

2 joint publications

Brandon Novy

2 joint publications

Aled M Edwards

2 joint publications

Alexey V Zakharov

2 joint publications

Travis Maxfield

2 joint publications

Holli-Joi Martin

Frequent Collaborators

6 joint publications

Alexander Tropsha

4 joint publications

Eugene N Muratov

4 joint publications

Konstantin I Popov

3 joint publications

Marielle Rath

Top Related Videos

Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids

Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids

Published on : Apr 13, 2022

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

Published on : Dec 01, 2020

High-Density DNA and RNA microarrays - Photolithographic Synthesis, Hybridization and Preparation of Large Nucleic Acid Libraries

High-Density DNA and RNA microarrays - Photolithographic Synthesis, Hybridization and Preparation of Large Nucleic Acid Libraries

Published on : Aug 12, 2019

See more related videos

Top Related Videos

Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids

Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids

Published on : Apr 13, 2022

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions

Published on : Dec 01, 2020

High-Density DNA and RNA microarrays - Photolithographic Synthesis, Hybridization and Preparation of Large Nucleic Acid Libraries

High-Density DNA and RNA microarrays - Photolithographic Synthesis, Hybridization and Preparation of Large Nucleic Acid Libraries

Published on : Aug 12, 2019

See more related videos