Sabina Smusz

The influence of negative training set size on machine learning-based virtual screening

Rafał Kurczab, Sabina Smusz, Andrzej J. Bojarski · Journal of Cheminformatics · 2014 · 80 citations · Full text

The influence of the inactives subset generation on the performance of machine learning methods

Sabina Smusz, Rafał Kurczab, Andrzej J. Bojarski · Journal of Cheminformatics · 2013 · 40 citations · Full text

A multidimensional analysis of machine learning methods performance in the classification of bioactive compounds

Sabina Smusz, Rafał Kurczab, Andrzej J. Bojarski · Chemometrics and Intelligent Laboratory Systems · 2013 · 33 citations · Full text

Engineering, Machine Learning, Machine Learning Tool +17

An application of machine learning methods to structural interaction fingerprints—a case study of kinase inhibitors

Jagna Witek, Sabina Smusz, Krzysztof Rataj et al. · Bioorganic & Medicinal Chemistry Letters · 2013 · 23 citations · Full text

Molecular Modeling, Engineering, Interactomics +12

Fingerprint-based consensus virtual screening towards structurally new 5-HT6R ligands

Sabina Smusz, Rafał Kurczab, Grzegorz Satała et al. · Bioorganic & Medicinal Chemistry Letters · 2015 · 17 citations · Full text

Chemical Biology, Hit Identification, New 5-Ht6r Ligands +7