Enhancing Semiempirical Quantum Mechanical Scoring with Machine Learning: a new scoring function that accounts for both the enthalpic and entropic contributions to the ligand binding free energy
chemrxiv chemrxiv
COVID-19 Lockdowns—Effect on Concentration of Pharmaceuticals and Illicit Drugs in Two Major Croatian Rivers
Toxics Zhiguo Cao MDPI
Collaborative Data Use between Private and Public Stakeholders—A Regional Case Study
Data MDPI Basel
Combining short-term bioassays using fish and crustacean model organisms with ToxCast in vitro data and broad-spectrum chemical analysis for environmental risk assessment of the river water (Sava, Croatia)
Environmental Pollution Elsevier
Machine Learning and Meteorological Normalization for Assessment of Particulate Matter Changes during the COVID-19 Lockdown in Zagreb, Croatia
Int. J. Environ. Res. Public Health MDPI
Theory-Inspired Machine Learning - Towards a Synergy between Knowledge and Data
Welding in the World Springer Springer -
Should We Embed in Chemistry? A Comparison of Unsupervised Transfer Learning with PCA, UMAP, and VAE on Molecular Fingerprints
Pharmaceuticals MDPI
Affinity of Antifungal Isoxazolo[3,4-b]pyridine-3(1H)-Ones to Phospholipids in Immobilized Artificial Membrane (IAM) Chromatograph
Molecules MDPI
Parasitic resistance as a predictor of faulty anodes in electro galvanizing: a comparison of machine learning, physical and hybrid model
dvanced Modeling and Simulation in Engineering Sciences SpringerOpen
Plant resistome profiling in evolutionary old bog vegetation provides new clues to understand emergence of multi-resistanc
The ISME Journal Springer Nature
Ensemble Learning Approaches to Data Imbalance and Competing Objectives in Design of an Industrial Machine Vision System
Industrial & Engineering Chemistry Researc American Chemical Society
Toxicity prediction and effect characterization of 90 pharmaceuticals and illicit drugs measured in plasma of fish from a major European river (Sava, Croatia
Environmental Pollution Elsevier
Adherence to Mediterranean Diet and Maternal Lifestyle during Pregnancy: Island–Mainland Differentiation in the CRIBS Birth Cohort
Nutrients MDPI
Applying machine learning methods to better understand, model and estimate mass concentrations of traffic-related pollutants at a typical street canyon
Environmental Pollution Elsevier Elsevie .
Body mass index, body image dissatisfaction, and eating disorder symptoms in female aquatic sports: Comparison between artistic swimmers and female water polo player
Journal of Physical Education and Sport Editura Universitatea din Pitesti
Molecular modeling of the quantitative structure activity relationship in Python – a tutorial (part I)
Journal of Chemists and Chemical Engineers Croatian Society of Chemical Engineers Zagreb
Assessment of river sediment toxicity: Combining empirical zebrafish embryotoxicity testing with in silico toxicity characterization
Science of the Total Environment Elsevier