Personal information

Other IDs

Scopus Author ID: 55467311500

Keywords

comp chemistry , Molecular dynamics, docking, QM, multivariate statistics, ML , QSAR/QSPR

Countries

Switzerland, Bulgaria, United States

Activities

Collapse all

Employment (3)

University of Fribourg: Fribourg, Freiburg, CH

2020-09 to 2022-09 | postdoc (Chemistry )
Employment
Source: Self-asserted source
Nedyalkova

University of Maryland: Baltimore, Meryland, US

2019-09-30 to 2020-04-13 | postdoc (School of Pharmacy, University of Maryland )
Employment
Source: Self-asserted source
Nedyalkova

University of Sofia: Sofia, Sofia, BG

2014-11-11 to 2018-06 | assistant prof. (Inorganic Chenistry)
Employment
Source: Self-asserted source
Nedyalkova

Education and qualifications (1)

Sofia University, Faculty of Chemistry and Pharmacy : Sofia, BG

(Inorganic Chemistry)
Education
Source: Self-asserted source
Nedyalkova

Professional activities (4)

Swiss Chemical Society: Bern, Bern, CH

2021 to present
Membership
Source: Self-asserted source
Nedyalkova

American Chemical Society: Washington, DC, US

2018 to present
Membership
Source: Self-asserted source
Nedyalkova

Bulgarian chemical society: Sofia, BG

2014-11 to present
Membership
Source: Self-asserted source
Nedyalkova

Federation of European Biochemical Societies: Cambridge, GB

2012-05 to present
Membership
Source: Self-asserted source
Nedyalkova

Funding (2)

Allergenic and non-allergenic proteins - multivariate statistical approach (How to distinguished allergenic by non-allergenic plant food proteins)

2018-11 to 2020-01 | Award
L'Oreal (NY, NY, US)
Source: Self-asserted source
Nedyalkova

Overcharging process in a soft colloids - molecular dynamics approach

2016-02 to 2016-06 | Grant
H2020 Research Infrastructures (INFRAIA-2016-1, ES)
Source: Self-asserted source
Nedyalkova

Works (50 of 56)

Items per page:
Page 1 of 2

Collection of Partition Coefficients in Hexadecyltrimethylammonium Bromide, Sodium Cholate, and Lithium Perfluorooctanesulfonate Micellar Solutions: Experimental Determination and Computational Predictions

Molecules
2023-07 | Journal article | Author
DOI: 10.3390/molecules28155729
Contributors: Leila Saranjam; Nedyalkova; Elisabet Fuguet; Vasil Simeonov; Francesc Mas; Sergio Madurga
Source: check_circle
Multidisciplinary Digital Publishing Institute

Computer-Aided Drug Design and Synthesis of Rhenium Clotrimazole Antimicrobial Agents

Antibiotics
2023-03 | Journal article | Author
DOI: 10.3390/antibiotics12030619
Contributors: Youri Cortat; Nedyalkova; Kevin Schindler; Parth Kadakia; Gozde Demirci; Sara Nasiri Sovari; Aurelien Crochet; Stefan Salentinig; Marco Lattuada; Olimpia Mamula et al.
Source: check_circle
Multidisciplinary Digital Publishing Institute

Sequence-Based Prediction of Plant Allergenic Proteins: Machine Learning Classification Approach

ACS Omega
2023-01-20 | Journal article | Author
DOI: 10.1021/acsomega.2c02842
Part of ISSN: 2470-1343
Part of ISSN: 2470-1343
Contributors: Nedyalkova; Mahdi Vasighi; Amirreza Azmoon; Ludmila Naneva; Vasil Simeonov
Source: Self-asserted source
Nedyalkova

Developing an Intelligent Data Analysis Approach for Marine Sediments

Molecules
2022-10 | Journal article | Author
DOI: 10.3390/molecules27196539
Contributors: Nedyalkova; Vasil Simeonov
Source: check_circle
Multidisciplinary Digital Publishing Institute

Antimicrobial Activity of Rhenium Di- and Tricarbonyl Diimine Complexes: Insights on Membrane-Bound <i>S. aureus</i> Protein Binding

Pharmaceuticals
2022-09 | Journal article | Author
DOI: 10.3390/ph15091107
Contributors: Kevin Schindler; Youri Cortat; Nedyalkova; Aurelien Crochet; Marco Lattuada; Aleksandar Pavic; Fabio Zobi
Source: check_circle
Multidisciplinary Digital Publishing Institute

A multilevel approach for screening natural compounds as an antiviral agent for COVID-19

Computational Biology and Chemistry
2022-06 | Journal article
DOI: 10.1016/j.compbiolchem.2022.107694
Part of ISSN: 1476-9271
Source: Self-asserted source
Nedyalkova

Developing a questionnaire for diabetes mellitus type 2 risk effects and precondition factors – multivariate statistical paths

Physical Sciences Reviews
2022-04-06 | Journal article
DOI: 10.1515/psr-2021-0158
Part of ISSN: 2365-6581
Part of ISSN: 2365-659X
Source: Self-asserted source
Nedyalkova

Biomedical Applications of Iron Oxide Nanoparticles: Current Insights Progress and Perspectives

Pharmaceutics
2022-01 | Journal article | Author
DOI: 10.3390/pharmaceutics14010204
Contributors: María Gabriela Montiel Schneider; María Julia Martín; Jessica Otarola; Ekaterina Vakarelska; Vasil Simeonov; Veronica Lassalle; Nedyalkova
Source: check_circle
Multidisciplinary Digital Publishing Institute

Persistent organic pollutants (POPs) - QSPR classification models by means of Machine learning strategies

Chemosphere
2022-01 | Journal article
DOI: 10.1016/j.chemosphere.2021.132189
Part of ISSN: 0045-6535
Source: Self-asserted source
Nedyalkova
grade
Preferred source (of 2)‎

Chemometric exploratory data analysis for patients with diabetes type 2 and diabetic complications

Physical Sciences Reviews
2021 | Journal article
DOI: 10.1515/psr-2020-0132
EID:

2-s2.0-85106347117

Part of ISSN: 2365659X
Contributors: Nedyalkova, M.; Robeva, R.; Elenkova, A.; Simeonov, V.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier

Multivariate statistical approach for nephrines in women with obesity

Molecules
2021 | Journal article
DOI: 10.3390/molecules26051393
EID:

2-s2.0-85103862896

Part of ISSN: 14203049
Contributors: Robeva, R.; Nedyalkova, M.; Kirilov, G.; Elenkova, A.; Zacharieva, S.; Kudłak, B.; Jatkowska, N.; Simeonov, V.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier

Solvothermal synthesis combined with design of experiments—optimization approach for magnetite nanocrystal clusters

Nanomaterials
2021 | Journal article
DOI: 10.3390/nano11020360
EID:

2-s2.0-85100293170

Part of ISSN: 20794991
Contributors: Medinger, J.; Nedyalkova, M.; Lattuada, M.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier

Tracing the movement of persistent organic pollutants at a high-mountain sampling site by chemometric assessment

Journal of Environmental Science and Health - Part A Toxic/Hazardous Substances and Environmental Engineering
2021 | Journal article
DOI: 10.1080/10934529.2021.1962674
EID:

2-s2.0-85112531194

Part of ISSN: 15324117 10934529
Contributors: Vakarelska, E.; Nedyalkova, M.; Nikolova, N.; Angelov, C.; Tonev, D.; Prybilova, P.; Klanova, J.; Simeonov, V.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier

Inhibition Ability of Natural Compounds on Receptor-Binding Domain of SARS-CoV2: An In Silico Approach

Pharmaceuticals
2021-12 | Journal article | Author
DOI: 10.3390/ph14121328
Contributors: Nedyalkova; Mahdi Vasighi; Sappati, Subrahmanyam; Anmol Kumar; Sergio Madurga; Vasil Simeonov
Source: check_circle
Multidisciplinary Digital Publishing Institute

Unveiling the Effect of Low pH on the SARS-CoV-2 Main Protease by Molecular Dynamics Simulations

Polymers
2021-11 | Journal article | Author
DOI: 10.3390/polym13213823
Contributors: Haruna L. Barazorda-Ccahuana; Nedyalkova; Francesc Mas; Sergio Madurga
Source: check_circle
Multidisciplinary Digital Publishing Institute

Preparation and Machine-Learning Methods of Nacre-like Composites from the Self-Assembly of Magnetic Colloids Exposed to Rotating Magnetic Fields

ACS Applied Materials & Interfaces
2021-10-13 | Journal article
DOI: 10.1021/acsami.1c13324
Part of ISSN: 1944-8244
Part of ISSN: 1944-8252
Source: Self-asserted source
Nedyalkova

Prediction of Partition Coefficients in SDS Micelles by DFT Calculations

Symmetry
2021-09 | Journal article | Author
DOI: 10.3390/sym13091750
Contributors: Leila Saranjam; Elisabet Fuguet; Nedyalkova; Vasil Simeonov; Francesc Mas; Sergio Madurga
Source: check_circle
Multidisciplinary Digital Publishing Institute
grade
Preferred source (of 2)‎

The Interplay between Diradical Character and Stability in Organic Molecules

Symmetry
2021-08 | Journal article | Author
DOI: 10.3390/sym13081448
Contributors: Vaska Petakova; Nedyalkova; Joanna Stoycheva; Alia Tadjer; Julia Romanova
Source: check_circle
Multidisciplinary Digital Publishing Institute
grade
Preferred source (of 2)‎

Partitioning Pattern of Natural Products Based on Molecular Properties Descriptors Representing Drug-Likeness

Symmetry
2021-03-26 | Journal article
DOI: 10.3390/sym13040546
Part of ISSN: 2073-8994
Source: Self-asserted source
Nedyalkova
grade
Preferred source (of 3)‎

Combinatorial K-Means Clustering as a Machine Learning Tool Applied to Diabetes Mellitus Type 2

International Journal of Environmental Research and Public Health
2021-02 | Journal article | Author
DOI: 10.3390/ijerph18041919
Contributors: Nedyalkova; Sergio Madurga; Vasil Simeonov
Source: check_circle
Multidisciplinary Digital Publishing Institute
grade
Preferred source (of 2)‎

Statistical and Machine Learning Techniques in Human Microbiome Studies: Contemporary Challenges and Solutions

Frontiers in Microbiology
2021-02-22 | Journal article
DOI: 10.3389/fmicb.2021.635781
Part of ISSN: 1664-302X
Source: Self-asserted source
Nedyalkova

Diabetes mellitus type 2: Exploratory data analysis based on clinical reading

Open Chemistry
2020 | Journal article
DOI: 10.1515/chem-2020-0086
EID:

2-s2.0-85090123526

Part of ISSN: 23915420
Contributors: Nedyalkova, M.; Madurga, S.; Ballabio, D.; Robeva, R.; Romanova, J.; Kichev, I.; Elenkova, A.; Simeonov, V.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier

Environmental Effect of Potential Radiopharmaceuticals Residuals

Ecological Chemistry and Engineering S
2020 | Journal article
DOI: 10.2478/eces-2020-0038
EID:

2-s2.0-85100607651

Part of ISSN: 18986196
Contributors: Todorov, B.; Nedyalkova, M.; Simeonov, V.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier

Fuzzy divisive hierarchical clustering of solvents according to their experimentally and theoretically predicted descriptors

Symmetry
2020 | Journal article
DOI: 10.3390/sym12111763
EID:

2-s2.0-85094137506

Part of ISSN: 20738994
Contributors: Nedyalkova, M.; Sarbu, C.; Tobiszewski, M.; Simeonov, V.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier

Fuzzy partitioning of clinical data for DMT2 patients

Journal of Environmental Science and Health - Part A Toxic/Hazardous Substances and Environmental Engineering
2020 | Journal article
DOI: 10.1080/10934529.2020.1809925
EID:

2-s2.0-85097957631

Part of ISSN: 15324117 10934529
Contributors: Nedyalkova, M.; Barazorda-Ccahuana, H.L.; Sârbu, C.; Madurga, S.; Simeonov, V.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier

Multivariate analysis for the classification of copper-lead and copper-zinc glasses

Open Chemistry
2020 | Journal article
DOI: 10.1515/chem-2020-0140
EID:

2-s2.0-85090499500

Part of ISSN: 23915420
Contributors: Dimitrov, D.; Nedyalkova, M.; Madurga, S.; Naneva, L.; Simeonov, V.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier

Vibrational Analysis of Manganese(II) Oxalates Hydrates: An in Silico Statistical Approach

ACS Omega
2020 | Journal article
DOI: 10.1021/acsomega.9b03434
EID:

2-s2.0-85083899596

Part of ISSN: 24701343
Contributors: Barazorda-Ccahuana, H.L.; Nedyalkova, M.; Kichev, I.; Madurga, S.; Donkova, B.; Simeonov, V.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier

Multivariate Chemometrics as a Strategy to Predict the Allergenic Nature of Food Proteins

Symmetry
2020-09 | Journal article | Author
DOI: 10.3390/sym12101616
Contributors: Nedyalkova; Vasil Simeonov
Source: check_circle
Multidisciplinary Digital Publishing Institute
grade
Preferred source (of 2)‎

Applying Discriminant and Cluster Analyses to Separate Allergenic from Non-allergenic Proteins

Open Chemistry
2019 | Journal article
DOI: 10.1515/chem-2019-0045
EID:

2-s2.0-85067455096
Contributors: Naneva, L.; Nedyalkova, M.; Madurga, S.; Mas, F.; Simeonov, V.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier

Calculating the Partition Coefficients of Organic Solvents in Octanol/Water and Octanol/Air

Journal of Chemical Information and Modeling
2019 | Journal article
DOI: 10.1021/acs.jcim.9b00212
EID:

2-s2.0-85066862392
Contributors: Nedyalkova, M.A.; Madurga, S.; Tobiszewski, M.; Simeonov, V.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier

Chemomertic Risk Assessment of Soil Pollution

Open Chemistry
2019 | Journal article
DOI: 10.1515/chem-2019-0082
EID:

2-s2.0-85072681521

Part of ISSN: 23915420
Contributors: Nedyalkova, M.; Simeonov, V.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier

Chemometric assessment of soil pollution and pollution source apportionment for an industrially impacted region around a non-ferrous metal smelter in Bulgaria

Molecules
2019 | Journal article
DOI: 10.3390/molecules24050883
EID:

2-s2.0-85062412285
Contributors: Dimitrov, D.S.; Nedyalkova, M.A.; Donkova, B.V.; Simeonov, V.D.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier

Chemometric evaluation of the link between acute toxicity, health issues and physicochemical properties of silver nanoparticles

Symmetry
2019 | Journal article
DOI: 10.3390/SYM11091159
EID:

2-s2.0-85079618577

Part of ISSN: 20738994
Contributors: Nedyalkova, M.; Dimitrov, D.; Donkova, B.; Simeonov, V.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier

Chemometric Expertise Of Clinical Monitoring Data Of Prolactinoma Patients

Open Chemistry
2019 | Journal article
DOI: 10.1515/chem-2019-0050
EID:

2-s2.0-85067489296
Contributors: Nedyalkova, M.; Dimitrov, D.; Donkova, B.; Simeonov, V.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier

Formation of stable and horse head-like shape platinum nanoparticles at the air/water interface

Proceedings of SPIE - The International Society for Optical Engineering
2019 | Conference paper
DOI: 10.1117/12.2552734
EID:

2-s2.0-85078982475

Part of ISSN: 1996756X 0277786X
Contributors: Grozev, N.; Nedyalkova, M.; Tzvetkov, G.; Mircheva, K.; Balashev, K.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier

Simulation Paths of Anticancer Drugs on a Graphene Oxide Surface

Carbon Nanostructures
2019 | Book chapter
DOI: 10.1007/978-981-32-9057-0_9
EID:

2-s2.0-85074657170

Part of ISSN: 21913013 21913005
Contributors: Nedyalkova, M.; Romanova, J.; Stoycheva, J.; Madurga, S.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier

Tuning the photocatalytic activity of carbohydrate-derived humins via ball milling: Insights by experimental and chemometrics approach

Powder Technology
2019 | Journal article
DOI: 10.1016/j.powtec.2019.07.019
EID:

2-s2.0-85068974185

Part of ISSN: 1873328X 00325910
Contributors: Tzvetkov, G.; Nedyalkova, M.; Zaharieva, J.; Spassov, T.; Tsyntsarski, B.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier

Chemometric assessment and best-fit function modelling of the toxic potential of selected food packaging extracts

Molecules
2018 | Journal article
DOI: 10.3390/molecules23113028
EID:

2-s2.0-85056972276
Contributors: Kudłak, B.; Szczepańska, N.; Nedyalkova, M.; Simeonov, V.; Namieśnik, J.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier

Insight into polymer-borate hybrid films - structural approach

Bulgarian Chemical Communications
2018 | Journal article
EID:

2-s2.0-85055685081
Contributors: Hristov, H.; Nedyalkova, M.; Simeonov, V.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier

Manganese oxalates - Structure-based Insights

Open Chemistry
2018 | Journal article
DOI: 10.1515/chem-2018-0123
EID:

2-s2.0-85058445875
Contributors: Nedyalkova, M.; Antonov, V.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier

Modeling and MANOVA studies on toxicity and endocrine potential of packaging materials exposed to different extraction schemes

Environmental Research
2018 | Journal article
DOI: 10.1016/j.envres.2018.05.004
EID:

2-s2.0-85047214177
Contributors: Szczepańska, N.; Kudłak, B.; Tsakovski, S.; Yotova, G.; Nedyalkova, M.; Simeonov, V.; Dołęga, A.; Namieśnik, J.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier

Pre-selection and assessment of green organic solvents by clustering chemometric tools

Ecotoxicology and Environmental Safety
2018 | Journal article
DOI: 10.1016/j.ecoenv.2017.08.057
EID:

2-s2.0-85028326976
Contributors: Tobiszewski, M.; Nedyalkova, M.; Madurga, S.; Pena-Pereira, F.; Namieśnik, J.; Simeonov, V.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier

A model provides insight into electric field-induced rupture mechanism of water-in-toluene emulsion films

arXiv
2017 | Other
EID:

2-s2.0-85094027669

Part of ISSN: 23318422
Contributors: Dimova, D.; Pisov, S.; Panchev, N.; Nedyalkova, M.; Madurga, S.; Proykova, A.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier

Application of chemometric techniques in studies of toxicity of selected commercially available products for infants and children

Environmental Monitoring and Assessment
2017 | Journal article
DOI: 10.1007/s10661-017-6007-2
EID:

2-s2.0-85020295126
Contributors: Szczepańska, N.; Kudłak, B.; Nedyalkova, M.; Simeonov, V.; Namieśnik, J.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier

Boron Oxide Glasses and Nanocomposites: Synthetic, Structural and Statistical Approach

Journal of Materials Science and Technology
2017 | Journal article
DOI: 10.1016/j.jmst.2016.07.016
EID:

2-s2.0-84996494491
Contributors: Hristov, H.; Nedyalkova, M.; Madurga, S.; Simeonov, V.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier

Chemometrics expertise in the links between ecotoxicity and physicochemical features of silver nanoparticles: Environmental aspects

Journal of AOAC International
2017 | Journal article
DOI: 10.5740/jaoacint.16-0413
EID:

2-s2.0-85015875809
Contributors: Nedyalkova, M.A.; Donkova, B.V.; Simeonov, V.D.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier

Insight into electric field-induced rupture mechanism of water-in-toluene emulsion films from a model system

Journal of Chemical Physics
2017 | Journal article
DOI: 10.1063/1.4983163
EID:

2-s2.0-85019571423
Contributors: Dimova, D.; Pisov, S.; Panchev, N.; Nedyalkova, M.; Madurga, S.; Proykova, A.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier

Ionization and Conformational Equilibria of Citric Acid: Delocalized Proton Binding in Solution

Journal of Physical Chemistry A
2017 | Journal article
DOI: 10.1021/acs.jpca.7b05089
EID:

2-s2.0-85027439275
Contributors: Madurga, S.; Nedyalkova, M.; Mas, F.; Garcés, J.L.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier

Iron oxide nanoparticles – In vivo/in vitro biomedical applications and in silico studies

Advances in Colloid and Interface Science
2017 | Journal article
DOI: 10.1016/j.cis.2017.05.003
EID:

2-s2.0-85019168029
Contributors: Nedyalkova, M.; Donkova, B.; Romanova, J.; Tzvetkov, G.; Madurga, S.; Simeonov, V.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier

Multivariate statistical classification of plant features - the case with onobrychis pindicola subsp. Urumovii degen &amp; dren

Comptes Rendus de L'Academie Bulgare des Sciences
2017 | Journal article
EID:

2-s2.0-85037037634
Contributors: Kozuharova, E.; Nedyalkova, M.; Gergov, G.; Simeonov, V.
Source: Self-asserted source
Nedyalkova via Scopus - Elsevier
Items per page:
Page 1 of 2

Peer review (7 reviews for 6 publications/grants)

Review activity for Advanced functional materials. (1)
Review activity for International journal of molecular sciences. (1)
Review activity for Journal of agricultural and food chemistry. (1)
Review activity for Journal of chemical information and modeling. (1)
Review activity for Molecules. (2)
Review activity for Symmetry. (1)
How many people are using ORCID?