Amesformer: a graph transformer neural network for mutagenicity prediction

Luke Thompson, Josiah Evans, Slade Matthews

Low-cost quantum mechanical descriptors for data efficient skin sensitization QSAR models

Davy Guan, Raymond Lui, Slade Matthews

Deus Ex Machina? The Rise of Artificial Intelligence in Toxicology

Raymond Lui

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

Ayako Furuhama, Airi Kitazawa, J Yao, Carlos E Matos dos Santos, James Rathman, Chihae Yang, J Vinícius Ribeiro, Kevin Cross, Glen Myatt, Giuseppa Raitano, Emilio Benfenati, Nina Jeliazkova, Roustem Saiakhov, Suman Chakravarti, Robert S Foster, Cecilia Bossa, C Laura Battistelli, Romualdo Benigni, Toshihiko Sawada, Hiroaki Wasada, Tomohiro Hashimoto, Menghua Wu, Regina Barzilay, Pankaj R Daga, Robert D Clark, Jordi Mestres, Aaron Montero, Elisabet Gregori-Puigjané, Petko Petkov, Hristiana Ivanova, Ovanes Mekenyan, Slade Matthews, Davy Guan, John Spicer, Raymond Lui, Yoshihiro Uesawa, Koti Kurosaki, Yasunari Matsuzaka, S Sasaki, Mark TD Cronin, Sam J Belfield, James W Firman, Nicoleta Spînu, M Qiu, JM Keca, Giuseppina Gini, Ting Li, Weida Tong, Huixiao Hong, Zhichao Liu, Yoshinobu Igarashi, Hiroshi Yamada, Kei-ichi Sugiyama, Masamitsu Honma

Mechanistic Task Groupings Enhance Multitask Deep Learning of Strain-Specific Ames Mutagenicity

Raymond Lui, Davy Guan, Slade Matthews

Multiple Instance Learning Improves Ames Mutagenicity Prediction for Problematic Molecular Species

Samuel V Feeney, Raymond Lui, Davy Guan, Slade Matthews

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

Edwin Tse, Laksh Aithani, Mark Anderson, Jonathan Cardoso-Silva, Giovanni Cincilla, Gareth J Conduit, Mykola Galushka, Davy Guan, Irene Hallyburton, Benedict WJ Irwin, Kiaran Kirk, Adele M Lehane, Julia Lindblom, Raymond Lui, Slade Matthews, James McCulloch, Alice Motion, Ho Leung Ng, Mario Öeren, Murray N Robertson, Vito Spadavecchio, Vasileios Tatsis, Willem P van Hoorn, Alexander Wade, Thomas M Whitehead, Paul Willis, Matthew Todd

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

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

QSAR ligand dataset for modelling mutagenicity, genotoxicity, and rodent carcinogenicity

Davy Guan, Kevin Fan, Ian Spence, Slade Matthews

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

Davy Guan, Kevin Fan, Ian Spence, Slade Matthews

Diagnosis of oligodendroglioma: Molecular and classical histological assessment in the twenty-first century

Slade Matthews, Peter Succar, Herbert Jelinek, Brent McParland, Michael Buckland, Craig S McLachlan