Publications by authors named "Davy Guan"

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Organoselenium compounds as an enriched source for the discovery of new antimicrobial agents.
Louise I M Friberg, Angela Kavanagh, Maite Amado, Gabrielle Lowe, Johannes Zuegg, Davy Guan

RSC Med Chem· April 2025

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Low-cost quantum mechanical descriptors for data efficient skin sensitization QSAR models.
Davy Guan, Raymond Lui, Slade T Mattthews

Curr Res Toxicol· June 2024

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Multiple Instance Learning Improves Ames Mutagenicity Prediction for Problematic Molecular Species.
Samuel V Feeney, Raymond Lui, Davy Guan, Slade Matthews

Chem Res Toxicol· August 2023

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Mechanistic Task Groupings Enhance Multitask Deep Learning of Strain-Specific Ames Mutagenicity.
Raymond Lui, Davy Guan, Slade Matthews

Chem Res Toxicol· August 2023

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Bridging informatics and medicinal inorganic chemistry: Toward a database of metallodrugs and metallodrug candidates.
José L Medina-Franco, Edgar López-López, Emma Andrade, Lena Ruiz-Azuara, Angelo Frei, Davy Guan

Drug Discov Today· May 2022

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An Open Drug Discovery Competition: Experimental Validation of Predictive Models in a Series of Novel Antimalarials.
Edwin G Tse, Laksh Aithani, Mark Anderson, Jonathan Cardoso-Silva, Giovanni Cincilla, Davy Guan

J Med Chem· November 2021

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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

J Comput Aided Mol Des· May 2020

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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

J Comput Aided Mol Des· May 2020

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Combining machine learning models of in vitro and in vivo bioassays improves rat carcinogenicity prediction.
Davy Guan, Kevin Fan, Ian Spence, Slade Matthews

Regul Toxicol Pharmacol· April 2018

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QSAR ligand dataset for modelling mutagenicity, genotoxicity, and rodent carcinogenicity.
Davy Guan, Kevin Fan, Ian Spence, Slade Matthews

Data Brief· April 2018

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