Davy Guan

6PUBLICATIONS
39CO-AUTHORS
Radiation and matterDeep learningCheminformatics and quantitative structure-activity relationshipsBiomolecular modelling and designTheoretical quantum chemistry
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Publications (6)

|Dec 04, 2023
Evaluation of QSAR models for predicting mutagenicity: outcome of the Second Ames/QSAR international challenge project.

A Furuhama, A Kitazawa, J Yao

|Jul 21, 2023
Mechanistic Task Groupings Enhance Multitask Deep Learning of Strain-Specific Ames Mutagenicity.

Raymond Lui, Davy Guan, Slade Matthews

|Jul 21, 2023
Multiple Instance Learning Improves Ames Mutagenicity Prediction for Problematic Molecular Species.

Samuel V Feeney, Raymond Lui, Davy Guan

|Nov 08, 2021
An Open Drug Discovery Competition: Experimental Validation of Predictive Models in a Series of Novel Antimalarials.

Edwin G Tse, Laksh Aithani, Mark Anderson

|Jan 16, 2020
LogP prediction performance with the SMD solvation model and the M06 density functional family for SAMPL6 blind prediction challenge molecules.

Davy Guan, Raymond Lui, Slade Matthews

|Jan 15, 2020
A comparison of molecular representations for lipophilicity quantitative structure-property relationships with results from the SAMPL6 logP Prediction Challenge.

Raymond Lui, Davy Guan, Slade Matthews

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Frequent Collaborators

6 joint publications

Slade Matthews

5 joint publications

Raymond Lui

1 joint publications

A Furuhama

1 joint publications

C E Matos Dos Santos