Sabina Smusz

Most-cited papers

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

   R. Kurczab, Sabina Smusz, A. Bojarski

   2014Journal of Cheminformatics73 citations Open access

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

   Sabina Smusz, R. Kurczab, A. Bojarski

   201339 citations Open access

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

   Sabina Smusz, R. Kurczab, A. Bojarski

   2013Journal of Cheminformatics36 citations Open access

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4. An application of machine learning methods to structural interaction fingerprints--a case study of kinase inhibitors.

   Jagna Witek, Sabina Smusz, Krzysztof Rataj, Stefan Mordalski +1 more

   2014Bioorganic & Medicinal Chemistry Letters22 citations Open access

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5. Fingerprint-based consensus virtual screening towards structurally new 5-HT(6)R ligands.

   Sabina Smusz, R. Kurczab, G. Satała, A. Bojarski

   2015Bioorganic & Medicinal Chemistry Letters16 citations Open access

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6. Multiple conformational states in retrospective virtual screening – homology models vs. crystal structures: beta-2 adrenergic receptor case study

   Stefan Mordalski, Jagna Witek, Sabina Smusz, Krzysztof Rataj +1 more

   2015Journal of Cheminformatics13 citations Open access

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7. Exploiting uncertainty measures in compounds activity prediction using support vector machines.

   Sabina Smusz, W. Czarnecki, D. Warszycki, A. Bojarski

   2015Bioorganic & Medicinal Chemistry Letters11 citations Open access

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8. Multi-Step Protocol for Automatic Evaluation of Docking Results Based on Machine Learning Methods - A Case Study of Serotonin Receptors 5-HT6 and 5-HT7

   Sabina Smusz, Stefan Mordalski, Jagna Witek, Krzysztof Rataj +2 more

   2015Journal of Chemical Information and Modeling11 citations Open access

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9. Evaluation of different machine learning methods for ligand-based virtual screening

   R. Kurczab, Sabina Smusz, A. Bojarski

   2011Journal of Cheminformatics8 citations Open access

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10. Application of Structural Interaction Fingerpints (SIFts) into post-docking analysis - insight into activity and selectivity

    Jagna Witek, Krzysztof Rataj, Stefan Mordalski, Sabina Smusz +2 more

    2013Journal of Cheminformatics3 citations Open access

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11. The influence of training actives/inactives ratio on machine learning performance

    R. Kurczab, Sabina Smusz, A. Bojarski

    2013Journal of Cheminformatics2 citations Open access

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12. The influence of hashed fingerprints density on the machine learning methods performance

    Sabina Smusz, R. Kurczab, A. Bojarski

    2013Journal of Cheminformatics1 citations Open access

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13. Feature selection for structure based pharmacophore model by means of Structural Interaction Fingerprint and 3D motif

    Stefan Mordalski, Sabina Smusz, Reyhaneh Esmaielbeiki, A. Bojarski

    20110 citations

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14. Automated docking restrains assignment based on interaction profiles

    Stefan Mordalski, Jagna Witek, Krzysztof Rataj, Sabina Smusz +1 more

    20110 citations

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15. A novel machine learning-based protocol for predicting biological activity of chemical compounds

    Sabina Smusz, Stefan Mordalski, Jagna Witek, Krzysztof Rataj +1 more

    20110 citations

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