Patrick Riley

11PUBLICATIONS
49CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsStatistical mechanics in chemistryProteins and peptidesBiomolecular modelling and designOptimisation
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Publications (11)

|Jan 02, 2026
DNA-Encoded Chemical Library Screening with Target Titration Analysis: DELTA.

John C Faver, Flora Sundersingh, Lauren A Viarengo-Baker

|Dec 09, 2024
Ordinal Confidence Level Assignments for Regression Model Predictions.

Steven Kearnes, Patrick Riley

|Nov 04, 2024
A Target Class Ligandability Evaluation of WD40 Repeat-Containing Proteins.

Suzanne Ackloo, Fengling Li, Magda Szewczyk

|Sep 10, 2024
Extensive exploration of structure activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment merging and active learning.

Galen J Correy, Moira Rachman, Takaya Togo

|Sep 09, 2022
Evolving symbolic density functionals.

He Ma, Arunachalam Narayanaswamy, Patrick Riley

|May 05, 2022
Defining Levels of Automated Chemical Design.

Brian Goldman, Steven Kearnes, Trevor Kramer

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Frequent Collaborators

4 joint publications

Steven Kearnes

2 joint publications

Zhenpeng Zhou

2 joint publications

W Patrick Walters

2 joint publications

John W Cuozzo