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Panagiotis G Karamertzanis

Explore the profile of Panagiotis G Karamertzanis including associated specialties, affiliations and a list of published articles. Areas
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Articles 26
Citations 381
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Recent Articles
1.
Karamertzanis P, Evangelisti M, Parenti M, Vom Brocke J, Del Rio A, Bichlmaier I
Front Toxicol . 2024 Oct; 6:1450612. PMID: 39355353
No abstract available.
2.
Karamertzanis P, Patlewicz G, Sannicola M, Paul-Friedman K, Shah I
Chem Res Toxicol . 2024 Mar; 37(4):600-619. PMID: 38498310
Regulatory authorities aim to organize substances into groups to facilitate prioritization within hazard and risk assessment processes. Often, such chemical groupings are not explicitly defined by structural rules or physicochemical...
3.
Evangelisti M, Parenti M, Varchi G, Franco J, Vom Brocke J, Karamertzanis P, et al.
Regul Toxicol Pharmacol . 2023 May; 142:105416. PMID: 37253405
A new IUCLID database is provided containing results from non-clinical animal studies and human information for 530 approved drugs. The database was developed by extracting data from pharmacological reviews of...
4.
Fantke P, Aurisano N, Provoost J, Karamertzanis P, Hauschild M
Environ Int . 2019 Dec; 135:105336. PMID: 31884133
No abstract available.
5.
Karamertzanis P, Atlason P, Nathanail A, Provoost J, Karhu E, Rasenberg M
Regul Toxicol Pharmacol . 2019 May; 106:303-315. PMID: 31085250
The present study primarily aims at informing regulators and policy makers in Europe and examines the evolution of self-classifications and study availability for the endpoints of carcinogenicity, mutagenicity, reproductive toxicity...
6.
Welch G, Karamertzanis P, Misquitta A, Stone A, Price S
J Chem Theory Comput . 2015 Dec; 4(3):522-32. PMID: 26620792
We compare two methods for estimating the induction energy in organic molecular crystals by approximating the charge density polarization in the crystalline state. The first is a distributed atomic polarizability...
7.
Karamertzanis P, Raiteri P, Galindo A
J Chem Theory Comput . 2015 Dec; 6(5):1590-607. PMID: 26615693
We propose a novel, anisotropic rigid-body intermolecular potential model to predict the properties of water and the hydration free energies of neutral organic solutes. The electrostatic interactions of water and...
8.
Karamertzanis P, Kazantsev A, Issa N, Welch G, Adjiman C, Pantelides C, et al.
J Chem Theory Comput . 2015 Nov; 5(5):1432-48. PMID: 26609729
We report a multistage lattice energy minimization methodology for generating stable packing arrangements of cocrystals containing flexible molecules. In the first approximation, the intermolecular electrostatic interactions are modeled with atomic...
9.
Dimitrov S, Georgieva D, Pavlov T, Karakolev Y, Karamertzanis P, Rasenberg M, et al.
Environ Toxicol Chem . 2015 Jun; 34(11):2450-62. PMID: 26053589
Substances of unknown or variable composition, complex reaction products, or biological materials (UVCBs) have been conventionally described in generic terms. Commonly used substance identifiers are generic names of chemical classes,...
10.
Struebing H, Ganase Z, Karamertzanis P, Siougkrou E, Haycock P, Piccione P, et al.
Nat Chem . 2013 Oct; 5(11):952-7. PMID: 24153374
Solvents can significantly alter the rates and selectivity of liquid-phase organic reactions, often hindering the development of new synthetic routes or, if chosen wisely, facilitating routes by improving rates and...