Alexios Koutsoukas

Deep-learning: investigating deep neural networks hyper-parameters and comparison of performance to shallow methods for modeling bioactivity data

Alexios Koutsoukas, Keith J. Monaghan, Xiaoli Li et al. · Journal of Cheminformatics · 2017 · 319 citations · Full text

Computing, Computer Science, Toxicology +17

In Silico Target Predictions: Defining a Benchmarking Data Set and Comparison of Performance of the Multiclass Naïve Bayes and Parzen-Rosenblatt Window

Alexios Koutsoukas, Robert Lowe, Yasaman KalantarMotamedi et al. · Journal of Chemical Information and Modeling · 2013 · 151 citations

Pharmacy, Bioinformatics, Medicinal Chemistry +16

How Diverse Are Diversity Assessment Methods? A Comparative Analysis and Benchmarking of Molecular Descriptor Space

Alexios Koutsoukas, Shardul Paricharak, Warren R. J. D. Galloway et al. · Journal of Chemical Information and Modeling · 2013 · 96 citations

Pharmacy, Medicinal Chemistry, Pharmacology +17

AP-Net: An atomic-pairwise neural network for smooth and transferable interaction potentials

Zachary L. Glick, Derek P. Metcalf, Alexios Koutsoukas et al. · The Journal of Chemical Physics · 2020 · 72 citations · Full text

Natural Sciences, Chemistry, Physics +17

Chemogenomics Approaches to Rationalizing the Mode-of-Action of Traditional Chinese and Ayurvedic Medicines

Fazlin Mohd Fauzi, Alexios Koutsoukas, Robert Lowe et al. · Journal of Chemical Information and Modeling · 2013 · 52 citations

Pharmacy, Medicinal Chemistry, Pharmacology +13