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)

New Workflow for QSAR Model Development from Small Data Sets: Small Dataset Curator and Small Dataset Modeler. Integration of Data Curation, Exhaustive Double Cross-Validation, and a Set of Optimal Model Selection Techniques. - Pravin Ambure; Agnieszka Gajewicz-Skretna; M. Natália Dias Soeiro Cordeiro; Kunal Roy (J. Chem. Inf. Model., 2019)

The kernel-weighted local polynomial regression (KwLPR) approach: an efficient, novel tool for development of QSAR/QSAAR toxicity extrapolation models. - Agnieszka Gajewicz-Skretna; Supratik Kar; Magdalena Piotrowska; Jerzy Leszczynski (J. Cheminformatics, 2021)