Non-Linear Quantitative Structure–Activity Relationships Modelling, Mechanistic Study and In-Silico Design of Flavonoids as Potent Antioxidants

Interpretation of ANN-based QSAR models for prediction of antioxidant activity of flavonoids

(2018) Petar Žuvela et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Exploiting non-linear relationships between retention time and molecular structure of peptides originating from proteomes and comparing three multivariate approaches

(2016) Petar Žuvela et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

Molecular Descriptor Subset Selection in Theoretical Peptide Quantitative Structure–Retention Relationship Model Development Using Nature-Inspired Optimization Algorithms

(2015) Petar Žuvela et al.   ANALYTICAL CHEMISTRY

Relationship Between the Structures of Flavonoids and Oxygen Radical Absorbance Capacity Values: A Quantum Chemical Analysis

(2013) Di Zhang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Study of the solvent effect on the enthalpies of homolytic and heterolytic N–H bond cleavage in p-phenylenediamine and tetracyano-p-phenylenediamine

(2010) Ján Rimarčík et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Acidity of Hydroxyl Groups: An Overlooked Influence on Antiradical Properties of Flavonoids

(2009) Malgorzata Musialik et al.   JOURNAL OF ORGANIC CHEMISTRY

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

CV-ANOVA for significance testing of PLS and OPLS® models

(2008) Lennart Eriksson et al.   JOURNAL OF CHEMOMETRICS

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS