Публикации



2021

Paskaleva, V., Dobrev, S., Kochev, N., Angelova, S., & Antonov, L. Unusual Para-Substituent Effects on the Intramolecular Hydrogen Bond in Hydrazone-Based Switches: Insights from Chemical Landscape Analysis and DFT Calculations , Physchem, 2021, 1(2), 189-201.    https://doi.org/10.3390/physchem1020013   

Nina Jeliazkova, Margarita D. Apostolova, Cristina Andreoli, Flavia Barone, Andrew Barrick, Chiara Battistelli, Cecilia Bossa, Alina Botea-Petcu, Amélie Châtel, Isabella De Angelis, Maria Dusinska, Naouale El Yamani, Daniela Gheorghe, Anna Giusti, Paloma Gómez-Fernández, Roland Grafström, Maciej Gromelski, Nicklas Raun Jacobsen, Vedrin Jeliazkov, Keld Alstrup Jensen, Nikolay Kochev, Pekka Kohonen, Nicolas Manier, Espen Mariussen, Agnieszka Mech, José María Navas, Vesselina Paskaleva, Aurica Precupas, Tomasz Puzyn, Kirsten Rasmussen, Peter Ritchie, Isabel Rodríguez Llopis, Elise Rundén-Pran, Romica Sandu, Neeraj Shandilya, Speranta Tanasescu, Andrea Haase, Penny Nymark; Towards FAIR Nanosafety Data; Nat. Nanotechnol. 16, 644–654 (2021).   https://doi.org/10.1038/s41565-021-00911-6


2020

Kochev, N.; Jeliazkova, N.; Paskaleva, V.; Tancheva, G.; Iliev, L.; Ritchie, P.; Jeliazkov, V. Your Spreadsheets Can Be FAIR: A Tool and FAIRification Workflow for the eNanoMapper Database . Nanomaterials 2020, 10, 1908    doi:10.3390/nano10101908    (IF2019 = 4.324; 5-Year IF2019 = 4.514)


2019

Angelova, S.; Paskaleva, V.; Kochev, N.; Antonov, L. DFT study of hydrazone-based molecular switches: the effect of different stators on the on/off state distribution. . Mol. Phys. 2019, 117, 1604–1612,    doi:10.1080/00268976.2018.1548717   (IF2019 = 1.767; 5-Year IF2019 = 1.64)

Kochev, N.; Paskaleva, V.; Pukalov, O.; Jeliazkova, N. Ambit‐GCM: An Open-source Software Tool for Group Contribution Modelling. . Mol. Informatics, Spec. Issue Celebr. Career Paola Gram. 2019, 38, 1800138,    doi:10.1002/minf.201800138   (IF = 2.741)

Honma, M.; Kitazawa, A.; Cayley, A.; Williams, R. V; Barber, C.; Hanser, T.; Saiakhov, R.; Chakravarti, S.; Myatt, G.J.; Cross, K.P.; et al. Improvement of quantitative structure–activity relationship (QSAR) tools for predicting Ames mutagenicity: outcomes of the Ames/QSAR International Challenge Project. . Mutagenesis 2019, 34, 3–16,    doi:10.1093/mutage/gey031   (IF2019 = 3.379)

Kochev, N.T.; Paskaleva, V.H.; Jeliazkova, N.G. AUTOMATIC GENERATION OF MOLECULAR ZWITTERIONIC FORMS WITH AMBIT-ZWITTERION. . Bulg. Chem. Commun. 2019, 51, 165–172,    link   (SJR2019 = 0.14)

Paskaleva, V.; Kochev, N. GROUP CONTRIBUTION MODELING OF RETENTION INDICES OF VOLATILE ORGANIC COMPOUNDS IN PEPPERS. . Sci. Res. Union Sci. Bulg. – Plovdiv, Ser. B. Nat. Sci. Humanit. Vol XIX, ISSN 1311- 9192 (Print), ISSN2534-9376 (On-line), Balk. Conf. ”Healt Food Technol. 27-28 June 2019 2019, XIX, 243–247,   

Paskaleva, V.; Pukalov, O.; Kochev, N. APPLICATION OF GROUP CONTRIBUTION METHODS FOR PREDICTION OF HEATS OF FORMATION. . Sci. Work. Union Sci. Bulg. - Plovdiv. Ser. C. Tech. Technol. Vol. XVII., ISSN 1311 -9419 (Print); ISSN 2534-9384 (Online), 2019, XVII, 209–216,   


2018

Pukalov, O.; Paskaleva, V.; Kochev, N.; Jeliazkova, N. MODELING OF QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIPS BY MEANS OF GROUP CONTRIBUTION METHODS. . Scientific researches of the Union of Scientists in Bulgaria-Plovdiv, series B. Natural Sciences and the Humanities, Vol. ХVIII, ISSN 1311-9192 (Print), ISSN 2534-9376 (On-line), 2018,    link


2014

Terziyski, A.; Kochev, N.; Paskaleva, V. MOODLE BASED ELECTRONIC CONTENT FOR STUDENTS IN COMPUTER CHEMISTRY. . Third Millennium Media Publications; Third Millennium Media Publications, 2014; pp. 311–318, ISBN: 0-9545660-2-5,    link

Dimitrov, I.; Kochev, N.; Moskovkina, M.; Naneva, L.; Paskaleva, V.; Doychinova, I.; Milina, R.; Mustafa, Z.; Bangov, I. Some new results obtained by using descriptor fingerprints in QSAR and QSPR investigations. . Acta Sci. Nat. 2014, 1,    link


2013

Kochev, N.T.; Paskaleva, V.H.; Jeliazkova, N. Ambit-Tautomer: An Open Source Tool for Tautomer Generation. . Mol. Inform. 2013, 32, 481–504,    doi:10.1002/minf.201200133   (IF2013 = 2.323)

Kochev, N.; Paskaleva, V.; Jeliazkova, N. Chemical Information Processing for QSAR/QSPR modeling. . Scientific research of the Union of Scientists in Bulgaria-Plovdiv, series C. Natural Sciences and Humanities, Vol. XVI, ISSN 1311-9192, Union of Scientists, International Conference of Young Scientists, 13 – 15 June 2013, Plovdiv,    link

Terziyski, A.; Kochev, N.; Paskaleva, V. Theoretical studies of simultaneous adsorption with diffusion of acetic acid on ice based on experimental data from flow reactors. . Scientific research of the Union of Scientists in Bulgaria-Plovdiv, series C. Natural Sciences and Humanities, Vol. XVI, ISSN 1311-9192, Union of Scientists, International Conference of Young Scientists, 13 – 15 June 2013, Plovdiv,    link

Terziyski, A.; Kochev, N.; Paskaleva, V. Sensitivity analysis of the simulation algorithms of three-phase mass transition processes. . Scientific research of the Union of Scientists in Bulgaria-Plovdiv, series C. Natural Sciences and Humanities, Vol. XVI, ISSN 1311-9192, Union of Scientists, International Conference of Young Scientists, 13 – 15 June 2013, Plovdiv,    link


2011

Kochev, N.; Paskaleva, V.; Jeliazkova, N. Automatic generation of tautomers. . Univ. PLOVDIV „PAISII HILENDARSKI“ – Bulg. Sci. Pap. 2011, 38, 65–70,    link