P.G. Karamertzanis - Publications, H-index & Citations

P.G. Karamertzanis

european chemicals agency

32H指数

112论文数

4.4K被引数

收录论文 31

发表时间

Advancing aquatic hazard assessment: Curated fish toxicity data and benchmarking of predictive models 推进水生危害评估：整理的鱼类毒性数据及预测模型的基准测试

Computational Toxicology

IF2.9

2026-07-01

PREAI

Karamertzanis, Panagiotis G.; Ekholm, Heidi; Yli-Tuomola, Aliisa; Nyman, Anna-Maija; Andreou, Kostas; Cesnaitis, Romanas; Bonnomet, Vincent; Prevedouros, Konstantinos

A comparative assessment of predictive methods for ready biodegradation using REACH experimental data

COMPUTATIONAL TOXICOLOGY

IF2.9

2026-01-21

OAAI

Karamertzanis, Panagiotis G.; Ekholm, Heidi; Yli-Tuomola, Aliisa; Cesnaitis, Romanas; Andreou, Kostas; Nyman, Anna-Maija; De Coen, Wim

From Feature-Based Chemical Similarity to Chemical Language Models-A Paradigm Shift in Computer-Aided Molecular Design and Property Predictions 从基于特征的化学相似性到化学语言模型——计算机辅助分子设计与性质预测领域的一场范式转变

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE

IF27

2025-11-12

OAAI

Banerjee, Arkaprava; Kar, Supratik; Roy, Kunal; Patlewicz, Grace; Shah, Imran; Karamertzanis, Panagiotis G.; Gini, Giuseppina; Benfenati, Emilio

Modelling In vitro Mutagenicity Using Multi-Task Deep Learning and REACH Data 利用多任务深度学习与REACH数据模拟体外致突变性

Chemical Research in Toxicology

IF3.8

2025-07-18

PREAI

Panagiotis G. Karamertzanis; Mike Rasenberg; Imran Shah; Grace Patlewicz

A new database contains 520 studies investigating the carcinogenicity data of 238 pharmaceuticals across 14 ATC classifications

FRONTIERS IN TOXICOLOGY

IF4.6

2024-09-17

OAAI

Karamertzanis, Panagiotis G.; Evangelisti, Martina; Parenti, Marco Daniele; vom Brocke, Jochen; Del Rio, Alberto; Bichlmaier, Ingo

A systematic analysis of read-across within REACH registration dossiers

COMPUTATIONAL TOXICOLOGY

IF2.9

2024-06-01

PREAI

Patlewicz, G.; Karamertzanis, P.; Friedman, K. Paul; Sannicola, M.; Shah, I.

Systematic Approaches for the Encoding of Chemical Groups: A Case Study 化学基团编码的系统方法: 案例研究

CHEMICAL RESEARCH IN TOXICOLOGY

IF3.8

2024-03-18

PREAI

Karamertzanis, Panagiotis G.; Patlewicz, Grace; Sannicola, Marta; Paul-Friedman, Katie; Shah, Imran

A non-clinical and clinical IUCLID database for 530 pharmaceuticals (part I): Methodological aspects of its development

REGULATORY TOXICOLOGY AND PHARMACOLOGY

IF3.5

2023-08-01

OAAI

Evangelisti, Martina; Parenti, Marco Daniele; Varchi, Greta; Franco, Jorge; vom Brocke, Jochen; Karamertzanis, Panagiotis G.; Del Rio, Alberto; Bichlmaier, Ingo

Toward effective use of REACH data for science and policy

ENVIRONMENT INTERNATIONAL

IF9.7

2020-02-01

OAAI

Fantke, Peter; Aurisano, Nicolo; Provoost, Jeroen; Karamertzanis, Panagiotis G.; Hauschild, Michael

Utility of In Vitro Bioactivity as a Lower Bound Estimate of In Vivo Adverse Effect Levels and in Risk-Based Prioritization

TOXICOLOGICAL SCIENCES

IF4.1

2019-09-18

181

OAAI

Friedman, Katie Paul; Gagne, Matthew; Loo, Lit-Hsin; Karamertzanis, Panagiotis; Netzeva, Tatiana; Sobanski, Tomasz; Franzosa, Jill A.; Richard, Ann M.; Lougee, Ryan R.; Gissi, Andrea; Lee, Jia-Ying Joey; Angrish, Michelle; Dorne, Jean Lou; Foster, Stiven; Raffaele, Kathleen; Bahadori, Tina; Gwinn, Maureen R.; Lambert, Jason; Whelan, Maurice; Rasenberg, Mike; Barton-Maclaren, Tara; Thomas, Russell S.

The impact on classifications for carcinogenicity, mutagenicity, reproductive and specific target organ toxicity after repeated exposure in the first ten years of the REACH regulation

REGULATORY TOXICOLOGY AND PHARMACOLOGY

IF3.5

2019-08-01

PREAI

Karamertzanis, Panagiotis G.; Atlason, Palmi; Nathanail, Alexis, V; Provoost, Jeroen; Karhu, Elina; Rasenberg, Mike

UVCB substances: Methodology for structural description and application to fate and hazard assessment

ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY

IF2.8

2015-06-06

PREAI

Dimitrov, Sabcho D.; Georgieva, Denitsa G.; Pavlov, Todor S.; Karakolev, Yordan H.; Karamertzanis, Panagiotis G.; Rasenberg, Mike; Mekenyan, Ovanes G.

Molecular Recognition of Steroid Hormones in the Solid State: Stark Differences in Cocrystallization of β-Estradiol and Estrone

CRYSTAL GROWTH & DESIGN

IF3.4

2015-01-29

PREAI

Ardila-Fierro, Karen J.; Andre, Vania; Tan, Davin; Duarte, M. Teresa; Lancaster, Robert W.; Karamertzanis, Panagiotis G.; Friscic, Tomislav

Computer-aided molecular design of solvents for accelerated reaction kinetics

NATURE CHEMISTRY

IF20.2

2013-09-22

146

PREAI

Struebing, Heiko; Ganase, Zara; Karamertzanis, Panagiotis G.; Siougkrou, Eirini; Haycock, Peter; Piccione, Patrick M.; Armstrong, Alan; Galindo, Amparo; Adjiman, Claire S.

Racemic Naproxen: A Multidisciplinary Structural and Thermodynamic Comparison with the Enantiopure Form

CRYSTAL GROWTH & DESIGN

IF3.4

2011-11-17

PREAI

Braun, Doris E.; Ardid-Candel, Miguel; D'Oria, Emiliana; Karamertzanis, Panagiotis G.; Arlin, Jean-Baptiste; Florence, Alastair J.; Jones, Alan G.; Price, Sarah L.

Successful prediction of a model pharmaceutical in the fifth blind test of crystal structure prediction 在晶体结构预测的第五次盲试验中成功预测模型药物

INTERNATIONAL JOURNAL OF PHARMACEUTICS

IF5.2

2011-10-01

110

PREAI

Kazantsev, Andrei V.; Karamertzanis, Panagiotis G.; Adjiman, Claire S.; Pantelides, Constantinos C.; Price, Sarah L.; Galek, Peter T. A.; Day, Graeme M.; Cruz-Cabeza, Aurora J.

Efficient Handling of Molecular Flexibility in Lattice Energy Minimization of Organic Crystals 在有机晶体的晶格能量最小化中有效处理分子柔性

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2011-05-09

118

PREAI

Kazantsev, A. V.; Karamertzanis, P. G.; Adjiman, C. S.; Pantelides, C. C.

Solid-State Forms of β-Resorcylic Acid: How Exhaustive Should a Polymorph Screen Be?

CRYSTAL GROWTH & DESIGN

IF3.4

2010-11-30

OAAI

Braun, Doris E.; Karamertzanis, Panagiotis G.; Arlin, Jean-Baptiste; Florence, Alastair J.; Kahlenberg, Volker; Tocher, Derek A.; Griesser, Ulrich J.; Price, Sarah L.

Tunable recognition of the steroid α-face by adjacent π-electron density

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

IF9.1

2010-07-12

OAAI

Friscic, T.; Lancaster, R. W.; Fabian, L.; Karamertzanis, P. G.

The Use of Anisotropic Potentials in Modeling Water and Free Energies of Hydration

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2010-04-02

PREAI

Karamertzanis, Panagiotis G.; Raiteri, Paolo; Galindo, Amparo

研究方向