☆ 4.5 Meeting Abstract

Linking LRI AMBIT chemoinformatic system with the IUCLID substance database to support read-across of substance endpoint data and category formation

TOXICOLOGY LETTERS (2016)

Journal

TOXICOLOGY LETTERS

Volume 258, Issue -, Pages S114-S115

Publisher

ELSEVIER IRELAND LTD

DOI: 10.1016/j.toxlet.2016.06.1469

Keywords

-

Categories

Toxicology

Ask authors/readers for more resources

Protocol

Community support

Reagent

Community support

Authors

I am an author on this paper

Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.5

Not enough ratings

Secondary Ratings

Novelty

-

Significance

-

Scientific rigor

-

Rate this paper

Recommended

Article Medicine, Legal

Formation and evaluation of mechanism-based chemical categories for regulatory read-across assessment of repeated-dose toxicity: A case of hemolytic anemia

Takashi Yamada, Tomoko Kawamura, Shinji Tsujii, Minoru Miura, Hideo Ohata, Naruo Katsutani, Mariko Matsumoto, Akihiko Hirose

Summary: The aim of this study is to define chemical categories for regulatory read-across assessments of repeated-dose toxicity by classifying toxic substances based on their structures and mechanisms of actions. Hemolytic anemia was examined as an example. Through an integrated database, 423 chemicals capable of inducing hemolytic anemia were identified and grouped into categories based on their structures and plausible mechanisms of actions. The identified categories were validated by comprehensive analysis and demonstrated utility through a case study.

REGULATORY TOXICOLOGY AND PHARMACOLOGY (2022)

Add to Collection

Article Toxicology

A strategy to define applicability domains for read-across

Cynthia Pestana, Steven J. Enoch, James W. Firman, Judith C. Madden, Nicoleta Spinu, Mark T. D. Cronin

Summary: Defining the similarity between target and source molecules is essential for accepting read-across predictions in toxicology. Although there are many guidelines and frameworks in a regulatory context, there is no formal process to determine whether the properties of an analogue fall within an appropriate domain for reliable predictions. This study presents a practical strategy to define the domain of a read-across prediction, incorporating chemistry, toxicodynamics, and toxicokinetics.

COMPUTATIONAL TOXICOLOGY (2022)

Add to Collection

Article Genetics & Heredity

Improvement of quantitative structure-activity relationship (QSAR) tools for predicting Ames mutagenicity: outcomes of the Ames/QSAR International Challenge Project

Masamitsu Honma, Airi Kitazawa, Alex Cayley, Richard V. Williams, Chris Barber, Thierry Hanser, Roustem Saiakhov, Suman Chakravarti, Glenn J. Myatt, Kevin P. Cross, Emilio Benfenati, Giuseppa Raitano, Ovanes Mekenyan, Petko Petkov, Cecilia Bossa, Romualdo Benigni, Chiara Laura Battistelli, Alessandro Giuliani, Olga Tcheremenskaia, Christine DeMeo, Ulf Norinder, Hiromi Koga, Ciloy Jose, Nina Jeliazkova, Nikolay Kochev, Vesselina Paskaleva, Chihae Yang, Pankaj R. Daga, Robert D. Clark, James Rathman

MUTAGENESIS (2019)

Add to Collection

Review Nanoscience & Nanotechnology

Insights into possibilities for grouping and read-across for nanomaterials in EU chemicals legislation

A. Mech, K. Rasmussen, P. Jantunen, L. Aicher, M. Alessandrelli, U. Bernauer, E. A. J. Bleeker, J. Bouillard, P. Di Prospero Fanghella, R. Draisci, M. Dusinska, G. Encheva, G. Flament, A. Haase, Y. Handzhiyski, F. Herzberg, J. Huwyler, N. R. Jacobsen, V. Jeliazkov, N. Jeliazkova, P. Nymark, R. Grafstroem, A. G. Oomen, M. L. Polci, C. Riebeling, J. Sandstroem, B. Shivachev, S. Stateva, S. Tanasescu, R. Tsekovska, H. Wallin, M. F. Wilks, S. Zellmer, M. D. Apostolova

NANOTOXICOLOGY (2019)

Add to Collection

Article Chemistry, Medicinal

Ambit-GCM: An Open-source Software Tool for Group Contribution Modelling

Nikolay Kochev, Vesselina Paskaleva, Ognyan Pukalov, Nina Jeliazkova

MOLECULAR INFORMATICS (2019)

Add to Collection

Article Chemistry, Multidisciplinary

GLORY: Generator of the Structures of Likely Cytochrome P450 Metabolites Based on Predicted Sites of Metabolism

Christina de Bruyn Kops, Conrad Stork, Martin Sicho, Nikolay Kochev, Daniel Svozil, Nina Jeliazkova, Johannes Kirchmair

FRONTIERS IN CHEMISTRY (2019)

Add to Collection

Article Environmental Sciences

CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

Kamel Mansouri, Nicole Kleinstreuer, Ahmed M. Abdelaziz, Domenico Alberga, Vinicius M. Alves, Patrik L. Andersson, Carolina H. Andrade, Fang Bai, Ilya Balabin, Davide Ballabio, Emilio Benfenati, Barun Bhhatarai, Scott Boyer, Jingwen Chen, Viviana Consonni, Sherif Farag, Denis Fourches, Alfonso T. Garcia-Sosa, Paola Gramatica, Francesca Grisoni, Chris M. Grulke, Huixiao Hong, Dragos Horvath, Xin Hu, Ruili Huang, Nina Jeliazkova, Jiazhong Li, Xuehua Li, Huanxiang Liu, Serena Manganelli, Giuseppe F. Mangiatordi, Uko Maran, Gilles Marcou, Todd Martin, Eugene Muratov, Dac-Trung Nguyen, Orazio Nicolotti, Nikolai G. Nikolov, Ulf Norinder, Ester Papa, Michel Petitjean, Geven Piir, Pavel Pogodin, Vladimir Poroikov, Xianliang Qiao, Ann M. Richard, Alessandra Roncaglioni, Patricia Ruiz, Chetan Rupakheti, Sugunadevi Sakkiah, Alessandro Sangion, Karl-Werner Schramm, Chandrabose Selvaraj, Imran Shah, Sulev Sild, Lixia Sun, Olivier Taboureau, Yun Tang, Igor Tetko, Roberto Todeschini, Weida Tong, Daniela Trisciuzzi, Alexander Tropsha, George Van Den Driessche, Alexandre Varnek, Zhongyu Wang, Eva B. Wedebye, Antony J. Williams, Hongbin Xie, Alexey Zakharov, Ziye Zheng, Richard S. Judson

ENVIRONMENTAL HEALTH PERSPECTIVES (2020)

Add to Collection

Article Chemistry, Multidisciplinary

Industry-scale application and evaluation of deep learning for drug target prediction

Noe Sturm, Andreas Mayr, Thanh Le Van, Vladimir Chupakhin, Hugo Ceulemans, Joerg Wegner, Jose-Felipe Golib-Dzib, Nina Jeliazkova, Yves Vandriessche, Stanislav Bohm, Vojtech Cima, Jan Martinovic, Nigel Greene, Tom Vander Aa, Thomas J. Ashby, Sepp Hochreiter, Ola Engkvist, Guenter Klambauer, Hongming Chen

JOURNAL OF CHEMINFORMATICS (2020)

Add to Collection

Article Chemistry, Multidisciplinary

Your Spreadsheets Can Be FAIR: A Tool and FAIRification Workflow for the eNanoMapper Database

Nikolay Kochev, Nina Jeliazkova, Vesselina Paskaleva, Gergana Tancheva, Luchesar Iliev, Peter Ritchie, Vedrin Jeliazkov

NANOMATERIALS (2020)

Add to Collection

Editorial Material Chemistry, Multidisciplinary

What is the role of cheminformatics in a pandemic?

Rajarshi Guha, Egon Willighagen, Barbara Zdrazil, Nina Jeliazkova

JOURNAL OF CHEMINFORMATICS (2021)

Add to Collection

Article Nanoscience & Nanotechnology

Towards FAIR nanosafety data

Nina Jeliazkova, Margarita D. Apostolova, Cristina Andreoli, Flavia Barone, Andrew Barrick, Chiara Battistelli, Cecilia Bossa, Alina Botea-Petcu, Amelie Chatel, Isabella De Angelis, Maria Dusinska, Naouale El Yamani, Daniela Gheorghe, Anna Giusti, Paloma Gomez-Fernandez, Roland Grafstrom, Maciej Gromelski, Nicklas Raun Jacobsen, Vedrin Jeliazkov, Keld Alstrup Jensen, Nikolay Kochev, Pekka Kohonen, Nicolas Manier, Espen Mariussen, Agnieszka Mech, Jose Maria Navas, Vesselina Paskaleva, Aurica Precupas, Tomasz Puzyn, Kirsten Rasmussen, Peter Ritchie, Isabel Rodriguez Llopis, Elise Runden-Pran, Romica Sandu, Neeraj Shandilya, Speranta Tanasescu, Andrea Haase, Penny Nymark

Summary: The proposal of a FAIR-aligned Nanosafety Data Interface aims to improve findability, accessibility, and interoperability of nanosafety data, providing a path towards standardized and optimized use of existing data to promote safe and sustainable nanotechnology.

NATURE NANOTECHNOLOGY (2021)

Add to Collection

Letter Chemistry, Multidisciplinary

Reply to FAIR chemical structure in the Journal of Cheminformatics

Rajarshi Guha, Nina Jeliazkova, Egon Willighagen, Barbara Zdrazil

JOURNAL OF CHEMINFORMATICS (2021)

Add to Collection

Editorial Material Nanoscience & Nanotechnology

Reply to: Prospects and challenges for FAIR toxicogenomics data

Roland Grafstrom, Andrea Haase, Pekka Kohonen, Nina Jeliazkova, Penny Nymark

NATURE NANOTECHNOLOGY (2022)

Add to Collection

Review Nanoscience & Nanotechnology

Representing and describing nanomaterials in predictive nanoinformatics

Ewelina Wyrzykowska, Alicja Mikolajczyk, Iseult Lynch, Nina Jeliazkova, Nikolay Kochev, Haralambos Sarimveis, Philip Doganis, Pantelis Karatzas, Antreas Afantitis, Georgia Melagraki, Angela Serra, Dario Greco, Julia Subbotina, Vladimir Lobaskin, Miguel A. Banares, Eugenia Valsami-Jones, Karolina Jagiello, Tomasz Puzyn

Summary: This Review discusses the importance of a comprehensive system for defining nanomaterial descriptors in enabling a safe-and-sustainable-by-design concept for engineered nanomaterials. The unique nanoscale properties of engineered nanomaterials can pose risks to human health and the environment, making it crucial to design new nanomaterials with safety and sustainability in mind. Physicochemical characteristics, such as chemical composition and size, play a key role in the biological activity of nanomaterials, and nanodescriptors can be used to optimize their functionality and minimize health and environmental hazards. The successful integration of experimental data and computational models is essential for the safe adoption of nanomaterials on a large scale.

NATURE NANOTECHNOLOGY (2022)

Add to Collection

Article Chemistry, Multidisciplinary

European Registry of Materials: global, unique identifiers for (undisclosed) nanomaterials

Jeaphianne van Rijn, Antreas Afantitis, Mustafa Culha, Maria Dusinska, Thomas E. Exner, Nina Jeliazkova, Eleonora Marta Longhin, Iseult Lynch, Georgia Melagraki, Penny Nymark, Anastasios G. Papadiamantis, David A. Winkler, Hulya Yilmaz, Egon Willighagen

Summary: Management of nanomaterials and nanosafety data requires a unique identifier for each nanomaterial, which is provided by the European Registry of Materials Identifier. This identifier ensures the linking of internal project documentation with publicly released data and knowledge for specific nanomaterials, and has been applied in H2020-funded nanosafety projects.

JOURNAL OF CHEMINFORMATICS (2022)

Add to Collection

Article Computer Science, Information Systems

METER.AC: Live Open Access Atmospheric Monitoring Data for Bulgaria with High Spatiotemporal Resolution

Atanas Terziyski, Stoyan Tenev, Vedrin Jeliazkov, Nina Jeliazkova, Nikolay Kochev

DATA (2020)

Add to Collection

Review Environmental Sciences

Making use of available and emerging data to predict the hazards of engineered nanomaterials by means of in silico tools: A critical review

G. Basei, D. Hristozov, L. Lamon, A. Zabeo, N. Jeliazkova, G. Tsiliki, A. Marcomini, A. Torsello

NANOIMPACT (2019)

Add to Collection

No Data Available

© Peeref 2019-2024. All rights reserved.