Calculation of Quantum-Mechanical Descriptors for QSPR at the DFT Level: Is It Necessary? - Tomasz Puzyn; Noriyuki Suzuki; Maciej Haranczyk; Janusz Rak (J. Chem. Inf. Model., 2008)

Combinatorial × Computational × Cheminformatics (C3) Approach to Characterization of Congeneric Libraries of Organic Pollutants. - Maciej Haranczyk; Piotr Urbaszek; Esmond G. Ng; Tomasz Puzyn (J. Chem. Inf. Model., 2012)

Towards modelling of the environmental fate of pharmaceuticals using the QSPR-MM scheme. - Karolina Jagiello; Aleksandra Mostrag-Szlichtyng; Agnieszka Gajewicz; Toru Kawai; Yoshitaka Imaizumi; Takeo Sakurai; Hiroshi Yamamoto; Norihisa Tatarazako; Kaoruko Mizukawa; Yasunobu Aoki; Noriyuki Suzuki; Haruna Watanabe; et al. (Environ. Model. Softw., 2015)

Geometry optimization method versus predictive ability in QSPR modeling for ionic liquids. - Anna Rybinska; Anita Sosnowska; Maciej Barycki; Tomasz Puzyn (J. Comput. Aided Mol. Des., 2016)

ILPC: simple chemometric tool supporting the design of ionic liquids. - Maciej Barycki; Anita Sosnowska; Magdalena Piotrowska; Piotr Urbaszek; Anna Rybinska; Monika Grzonkowska; Tomasz Puzyn (J. Cheminformatics, 2016)

Multi-Objective Genetic Algorithm (MOGA) As a Feature Selecting Strategy in the Development of Ionic Liquids' Quantitative Toxicity-Toxicity Relationship Models. - Maciej Barycki; Anita Sosnowska; Karolina Jagiello; Tomasz Puzyn (J. Chem. Inf. Model., 2018)

Hybrid Machine Learning and Experimental Studies of Antiviral Potential of Ionic Liquids against P100, MS2, and Phi6. - Szymon Zdybel; Anita Sosnowska; Dominika Kowalska; Julia Sommer; Beate Conrady; Patrick Mester; Maciej Gromelski; Tomasz Puzyn (J. Chem. Inf. Model., 2024)