Dr Davy Guan
Postdoctoral Research Fellow
Institute for Molecular Bioscience
Publications
Journal Articles
Medina-Franco, José L., López-López, Edgar, Andrade, Emma, Ruiz-Azuara, Lena, Frei, Angelo, Guan, Davy, Zuegg, Johannes and Blaskovich, Mark A.T. (2022). Bridging informatics and medicinal inorganic chemistry: toward a database of metallodrugs and metallodrug candidates. Drug Discovery Today, 27 (5), 1420-1430. doi: 10.1016/j.drudis.2022.02.021
Tse, Edwin G., Aithani, Laksh, Anderson, Mark, Cardoso-Silva, Jonathan, Cincilla, Giovanni, Conduit, Gareth J., Galushka, Mykola, Guan, Davy, Hallyburton, Irene, Irwin, Benedict W. J., Kirk, Kiaran, Lehane, Adele M., Lindblom, Julia C. R., Lui, Raymond, Matthews, Slade, McCulloch, James, Motion, Alice, Ng, Ho Leung, Öeren, Mario, Robertson, Murray N., Spadavecchio, Vito, Tatsis, Vasileios A., van Hoorn, Willem P., Wade, Alexander D., Whitehead, Thomas M., Willis, Paul and Todd, Matthew H. (2021). An open drug discovery competition: experimental validation of predictive models in a series of novel antimalarials. Journal of Medicinal Chemistry, 64 (22), 16450-16463. doi: 10.1021/acs.jmedchem.1c00313
Guan, Davy, Lui, Raymond and Matthews, Slade (2020). LogP prediction performance with the SMD solvation model and the M06 density functional family for SAMPL6 blind prediction challenge molecules. Journal of Computer-Aided Molecular Design, 34 (5), 511-522. doi: 10.1007/s10822-020-00278-1
Lui, Raymond, Guan, Davy and Matthews, Slade (2020). A comparison of molecular representations for lipophilicity quantitative structure–property relationships with results from the SAMPL6 logP Prediction Challenge. Journal of Computer-Aided Molecular Design, 34 (5), 523-534. doi: 10.1007/s10822-020-00279-0
Guan, Davy, Fan, Kevin, Spence, Ian and Matthews, Slade (2018). Combining machine learning models of in vitro and in vivo bioassays improves rat carcinogenicity prediction. Regulatory Toxicology and Pharmacology, 94, 8-15. doi: 10.1016/j.yrtph.2018.01.008