Samar Mahmoud

Prediction of In Vivo Pharmacokinetic Parameters and Time–Exposure Curves in Rats Using Machine Learning from the Chemical Structure

Olga Obrezanova, Anton Martinsson, Samar Mahmoud et al. · Molecular Pharmaceutics · 2022 · 69 citations · Full text

Imputation Versus Prediction: Applications in Machine Learning for Drug Discovery

Benedict Irwin, Samar Mahmoud, Thomas M. Whitehead et al. · Future Drug Discovery · 2020 · 22 citations · Full text

Engineering, Machine Learning, Hit Identification +24

Imputation of sensory properties using deep learning

Samar Mahmoud, Benedict Irwin, Dmitriy S. Chekmarev et al. · Journal of Computer-Aided Molecular Design · 2021 · 14 citations · Full text

Convolutional Neural Network, Engineering, Machine Learning +4

Leveraging heterogeneous data from GHS toxicity annotations, molecular and protein target descriptors and Tox21 assay readouts to predict and rationalise acute toxicity

Chad H. G. Allen, Lewis Mervin, Samar Mahmoud et al. · Journal of Cheminformatics · 2019 · 12 citations · Full text

Deep imputation on large‐scale drug discovery data

Benedict Irwin, Thomas M. Whitehead, Scott K. Rowland et al. · Applied AI Letters · 2021 · 12 citations · Full text