The influence of the negative-positive ratio and screening database size on the performance of machine learning-based virtual screening

por Kurczab, Rafał, Bojarski, Andrzej J.
Publicado 2017

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

por Kurczab, Rafał, Smusz, Sabina, Bojarski, Andrzej J
Publicado 2013

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

por Smusz, Sabina, Kurczab, Rafał, Bojarski, Andrzej J
Publicado 2013

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

por Smusz, Sabina, Kurczab, Rafał, Bojarski, Andrzej J
Publicado 2013

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

por Kurczab, Rafał, Smusz, Sabina, Bojarski, Andrzej J
Publicado 2014

Robust optimization of SVM hyperparameters in the classification of bioactive compounds

por Czarnecki, Wojciech M, Podlewska, Sabina, Bojarski, Andrzej J
Publicado 2015

Extremely Randomized Machine Learning Methods for Compound Activity Prediction

por Czarnecki, Wojciech M., Podlewska, Sabina, Bojarski, Andrzej J.
Publicado 2015

Asymmetric Clustering Index in a Case Study of 5-HT(1A) Receptor Ligands

por Śmieja, Marek, Warszycki, Dawid, Tabor, Jacek, Bojarski, Andrzej J.
Publicado 2014

Bioisosteric Matrices for Ligands of Serotonin Receptors

por Warszycki, Dawid, Mordalski, Stefan, Staroń, Jakub, Bojarski, Andrzej J
Publicado 2015

An Algorithm to Identify Target-Selective Ligands – A Case Study of 5-HT7/5-HT1A Receptor Selectivity

por Kurczab, Rafał, Canale, Vittorio, Zajdel, Paweł, Bojarski, Andrzej J.
Publicado 2016

Hydrogen Bonds with Fluorine in Ligand–Protein Complexes-the PDB Analysis and Energy Calculations

por Pietruś, Wojciech, Kafel, Rafał, Bojarski, Andrzej J., Kurczab, Rafał
Publicado 2022

Novel object recognition test as an alternative approach to assessing the pharmacological profile of sigma-1 receptor ligands

por Szczepańska, Katarzyna, Bojarski, Andrzej J., Popik, Piotr, Malikowska-Racia, Natalia
Publicado 2023

The importance of template choice in homology modeling. A 5-HT(6)R case study

por Rataj, Krzysztof, Witek, Jagna, Mordalski, Stefan, Kościółek, Tomasz, Bojarski, Andrzej J
Publicado 2013

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

por Mordalski, Stefan, Witek, Jagna, Smusz, Sabina, Rataj, Krzysztof, Bojarski, Andrzej J
Publicado 2015

Allosteric Inhibition of Serotonin 5-HT(7) Receptors by Zinc Ions

por Satała, Grzegorz, Duszyńska, Beata, Lenda, Tomasz, Nowak, Gabriel, Bojarski, Andrzej J.
Publicado 2017

Substructural Connectivity Fingerprint and Extreme Entropy Machines—A New Method of Compound Representation and Analysis

por Rataj, Krzysztof, Czarnecki, Wojciech, Podlewska, Sabina, Pocha, Agnieszka, Bojarski, Andrzej J.
Publicado 2018

Spiro[pyrrolidine-3,3′-oxindoles] and Their Indoline Analogues as New 5-HT6 Receptor Chemotypes

por Kelemen, Ádám A., Satala, Grzegorz, Bojarski, Andrzej J., Keserű, György M.
Publicado 2017

Molecular Modeling of µ Opioid Receptor Ligands with Various Functional Properties: PZM21, SR-17018, Morphine, and Fentanyl—Simulated Interaction Patterns Confronted with Experimen...

por Podlewska, Sabina, Bugno, Ryszard, Kudla, Lucja, Bojarski, Andrzej J., Przewlocki, Ryszard
Publicado 2020

2D SIFt: a matrix of ligand-receptor interactions

por Mordalski, Stefan, Wojtuch, Agnieszka, Podolak, Igor, Kurczab, Rafał, Bojarski, Andrzej J.
Publicado 2021

Data-Driven Analysis of Fluorination of Ligands of Aminergic G Protein Coupled Receptors

por Pietruś, Wojciech, Kurczab, Rafał, Stumpfe, Dagmar, Bojarski, Andrzej J., Bajorath, Jürgen
Publicado 2021