Calculating the Partition Coefficients of Organic Solvents in Octanol/Water and Octanol/Air. - Miroslava Nedyalkova; Sergio Madurga; Marek Tobiszewski; Vasil Simeonov (J. Chem. Inf. Model., 2019)

Chemometric Evaluation of the Link between Acute Toxicity, Health Issues and Physicochemical Properties of Silver Nanoparticles. - Miroslava Nedyalkova; Dimitar Dimitrov 007; Borjana Donkova; Vasil Simeonov (Symmetry, 2019)

Multivariate Chemometrics as a Strategy to Predict the Allergenic Nature of Food Proteins. - Miroslava Nedyalkova; Vasil Simeonov (Symmetry, 2020)

Fuzzy Divisive Hierarchical Clustering of Solvents According to Their Experimentally and Theoretically Predicted Descriptors. - Miroslava Nedyalkova; Costel Sârbu; Marek Tobiszewski; Vasil Simeonov (Symmetry, 2020)

Partitioning Pattern of Natural Products Based on Molecular Properties Descriptors Representing Drug-Likeness. - Miroslava Nedyalkova; Vasil Simeonov (Symmetry, 2021)

The Interplay between Diradical Character and Stability in Organic Molecules. - Vaska Petakova; Miroslava Nedyalkova; Joanna Stoycheva; Alia Tadjer; Julia Romanova (Symmetry, 2021)

Prediction of Partition Coefficients in SDS Micelles by DFT Calculations. - Leila Saranjam; Elisabet Fuguet; Miroslava Nedyalkova; Vasil Simeonov; Francesc Mas; Sergio Madurga (Symmetry, 2021)

A multilevel approach for screening natural compounds as an antiviral agent for COVID-19. - Mahdi Vasighi; Julia Romanova; Miroslava Nedyalkova (Comput. Biol. Chem., 2022)

Revealing the Formation Dynamics of Janus Polymer Particles: Insights from Experiments and Molecular Dynamics. - Miroslava Nedyalkova; Giovanni Russo; Philip Loche; Marco Lattuada 002 (J. Chem. Inf. Model., 2023)