Davy Guan

Combining machine learning models of in vitro and in vivo bioassays improves rat carcinogenicity prediction

Davy Guan, Kevin Fan, Ian Spence et al. · Regulatory Toxicology and Pharmacology · 2018 · 27 citations

Predictive Toxicology, Medicine, Pathology +9

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 · Journal of Computer-Aided Molecular Design · 2020 · 23 citations

Logp Prediction Performance, Engineering, Molecular Biology +8

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 · Journal of Computer-Aided Molecular Design · 2020 · 20 citations

Biochemistry, Biomolecular Structure Prediction, Natural Sciences +6

An Open Drug Discovery Competition: Experimental Validation of Predictive Models in a Series of Novel Antimalarials

Edwin G. Tse, Laksh Aithani, Mark Anderson et al. · Journal of Medicinal Chemistry · 2021 · 19 citations · Full text

Evaluation of QSAR models for predicting mutagenicity: outcome of the Second Ames/QSAR international challenge project

A. Furuhama, Atsushi Kitazawa, Jiahao Yao et al. · SAR and QSAR in environmental research · 2023 · 19 citations · Full text

Drug Resistance, Toxicology, Biostatistics +21