U.S. flag An official website of the United States government
  1. Home
  2. About FDA
  3. FDA Organization
  4. Office of the Commissioner
  5. Office of the Chief Scientist
  6. National Center for Toxicological Research
  7. Science & Research (NCTR)
  8. Svetoslav Slavov
  1. Science & Research (NCTR)

Svetoslav Slavov Ph.D.

Research Chemist — Division of Systems Biology

No photo available

Svetoslav Slavov, Ph.D.
(870) 543-7391

Back to NCTR Principal Investigators page

About  |  Publications 


Dr. Svetoslav Slavov holds a Ph.D. in molecular design from the University of Tartu, Estonia. He is a molecular modeling expert with over 16 years of experience in the fields of quantitative structure-activity relationships (QSAR) modeling, molecular modeling, computational toxicology and quantum chemistry. Dr. Slavov is an author of 37 research papers (a first author for 16 of them) and a book chapter in the field of QSAR/quantitative structure-property relationship (QSPR) and drug design. His major contributions to the fields of chem- and bio- informatics include the development of new modeling approaches and validation techniques as well as the discovery of new algorithms for structural/mechanistic interpretation of QSAR models. Information on his research was reported on National Public Radio, The New York Times, Fox News, ABC6, Medical News Today, and the Daily Telegraph to name a few. Within the Division of Systems Biology, his research is focused on the development of new computational toxicology approaches and models that can supplement the regulatory decisions and shorten the review process for new (Investigational New Drug Application) INDs, by substituting the lengthy and expensive animal testing with reliable and accurate estimates of various safety endpoints. He has also worked on projects for biomarker and bacteria identification developing advanced algorithms for feature extraction and pattern identification. In 2015, Dr. Slavov was awarded the FDA “Chief Scientist’s Publication Award for Data Methods/Analysis/Study Design.”

Research Interests

  • Molecular Modeling
  • Drug Design
  • Computational Toxicology
  • Statistics
  • Quantum Mechanics
  • Quantum Field Theory


Selected Publications

Why are Most Phospholipidosis Inducers also hERG Blockers?
Slavov S, Stoyanova-Slavova I, Li S, Zhao J, Huang R, Xia M, Beger R.
Archives of Toxicology. 2017 doi: 10.1007/s00204-017-1995-9.

3D-SDAR Modeling of hERG Potassium Channel Affinity: A Case Study in Model Design and Toxicophore Identification.
Stoyanova-Slavova IB, Slavov SH, Buzatu DA, Beger RD, Wilkes JG.
Journal of Molecular Graphics and Modelling. 2017; 72: 246.

Feature Selection from Mass Spectra of Bacteria for Serotyping Salmonella.disclaimer icon
Slavov S, Alusta P, Buzatu DA, Wilkes JG.
Journal of Analytical and Applied Pyrolysis. 2016 Dec 10.

Rigorous 3‐Dimensional Spectral Data Activity Relationship Approach Modeling Strategy for ToxCast Estrogen Receptor Data Classification, Validation, and Feature Extraction.
Slavov SH, Beger RD.
Environmental Toxicology and Chemistry. 2016; 9999: 1.

Computational Identification of a Phospholipidosis Toxicophore Using 13C and 15N NMR-Distance Based Fingerprints.
Slavov SH, Wilkes JG, Buzatu DA, Kruhlak NL, Willard JM, Hanig JP, Beger RD.
Bioorganic & Medicinal Chemistry. 2014; 22: 6706.

Partial Least Square and K‐Nearest Neighbor Algorithms for Improved 3D Quantitative Spectral Data–Activity Relationship Consensus Modeling of Acute Toxicity.
Stoyanova‐Slavova IB, Slavov SH, Pearce B, Buzatu DA, Beger RD, Wilkes JG.
Environmental Toxicology and Chemistry. 2014; 33: 1271.

Identification of a Metabolic Biomarker Panel in Rats for Prediction of Acute and Idiosyncratic Hepatotoxicity.
Sun J, Slavov S, Schnackenberg LK, Ando Y, Greenhaw J, Yang X, Salminen W, Mendrick DL, Beger R. Computational and Structural Biotechnology Journal. 2014; 10: 78.

Complementary PLS and KNN Algorithms for Improved 3D-QSDAR Consensus Modeling of AhR Binding.
Slavov SH, Pearce BA, Buzatu DA, Wilkes JG, Beger RD.
Journal of Cheminformatics. 2013; 5: 47.

13C NMR-Distance Matrix Descriptors: Optimal Abstract 3D Space Granularity for Predicting Estrogen Binding.
Slavov SH, Geesaman EL, Pearce BA, Schnackenberg LK, Buzatu DA, Wilkes JG, Beger RD.
Journal of Chemical Information and Modeling. 2012; 52: 1854.

A Computational Study of the Binding of 3-(Arylidene) Anabaseines to Two Major Brain Nicotinic Acetylcholine Receptors and to the Acetylcholine Binding Protein.
Slavov SH, Radzvilovits M, LeFrancois S, Stoyanova-Slavova IB, Soti F, Kem WR, Katritzky AR. European Journal of Medicinal Chemistry. 2010; 45: 2433.

Novel Carboxamides as Potential Mosquito Repellents.
Katritzky AR, Wang Z, Slavov S, Dobchev DA, Hall CD, Tsikolia M, Bernier UR, Elejalde NM, Clark GG, Linthicum KJ.
Journal of Medical Entomology. 2010; 47: 924.

Quantitative Correlation of Physical and Chemical Properties with Chemical Structure: Utility for Prediction.
Katritzky AR, Kuanar M, Slavov S, Hall CD, Karelson M, Kahn I, Dobchev DA.
Chemical Reviews. 2010; 110: 5714.

Correlation of the Photolysis Half-Lives of Polychlorinated Dibenzo-P-Dioxins and Dibenzofurans with Molecular Structure.
Katritzky AR, Slavov SH, Stoyanova-Slavova IB, Karelson M.
The Journal of Physical Chemistry A. 2010; 114: 2684.

QSAR Modeling, Synthesis and Bioassay of Diverse Leukemia RPMI-8226 Cell Line Active Agents.
Katritzky AR, Girgis AS, Slavov S, Tala SR, Stoyanova-Slavova I.
European Journal of Medicinal Chemistry. 2010; 45: 5183.

Quantitative Structure–Activity Relationship (QSAR) Modeling of EC50 of Aquatic Toxicities for Daphnia Magna.
Katritzky AR, Slavov SH, Stoyanova-Slavova IS, Kahn I, Karelson M.
Journal of Toxicology and Environmental Health, Part A. 2009; 72: 1181.

Legitimate Utilization of Large Descriptor Pools for QSPR/QSAR Models.
Katritzky AR, Dobchev DA, Slavov S, Karelson M.
Journal of Chemical Information and Modeling. 2008; 48: 2207.

QSAR Modeling of the Antifungal Activity Against Candida Albicans for a Diverse Set of Organic Compounds.
Katritzky AR, Slavov SH, Dobchev DA, Karelson M.
Bioorganic & Medicinal Chemistry. 2008; 16: 7055.

QSAR Trout Toxicity Models on Aromatic Pesticides.
Slavov S, Gini G, Benfenati E.
Journal of Environmental Science and Health Part B. 2008; 43: 633.

Synthesis and Bioassay of Improved Mosquito Repellents Predicted from Chemical Structure.
Katritzky AR, Wang Z, Slavov S, Tsikolia M, Dobchev D, Akhmedov NG, Hall CD, Bernier UR, Clark GG, Linthicum KJ.
Proceedings of the National Academy of Sciences. 2008; 105: 7359.

QSPR Modeling of UV Absorption Intensities.
Katritzky AR, Slavov SH, Dobchev DA, Karelson M.
Journal of Computer-Aided Molecular Design. 2007, 21, 371.

Quantitative Structure-Activity Relationship Analysis of the Substituent Effects on the Binding Affinity of Derivatives of Trimetazidine.
Slavov S, Djunlieva M, Ilieva S, Galabov B.
Arzneimittelforschung. 2004; 54: 9.


Contact Information
Svetoslav Slavov
(870) 543-7391
Technology & Discipline
Back to Top