Projects funded by the NCN

Information on the principal investigator and host institution

Information of the project and the call

Keywords

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Developing science-based read-across methods to support toxicological risk assessment of chemicals

2016/23/D/NZ7/03973

Keywords:

read-across ecotoxicology computational chemistry risk assessment hazard assessment industrial organic chemicals

Descriptors:

  • NZ7_2: Environment and health risks
  • NZ7_15: Toxicology
  • ST4_15: Colloid chemistry

Panel:

NZ7 - Diagnostic tools, therapies and public health: public health, epidemiology, environmental health risks and occupational medicine, medical ethics, drug discovery and therapies, pharmacology

Host institution :

Uniwersytet Gdański, Wydział Chemii

woj. pomorskie

Other projects carried out by the institution 

Principal investigator (from the host institution):

dr Agnieszka Gajewicz-Skrętna 

Number of co-investigators in the project: 2

Call: SONATA 12 - announced on 2016-09-15

Amount awarded: 253 874 PLN

Project start date (Y-m-d): 2017-10-02

Project end date (Y-m-d): 2022-10-01

Project duration:: 60 months (the same as in the proposal)

Project status: Project settled

Project description

Download the project description in a pdf file

Note - project descriptions were prepared by the authors of the applications themselves and placed in the system in an unchanged form.

Equipment purchased [PL]

  1. stacja robocza z procesorem czterordzeniowym i7 4.0GHz/16GB/512GB SSD AMD Radeon R9 M395X 4GB (15 000 PLN)

Information in the final report

  • Publication in academic press/journals (6)
  1. How to judge whether QSAR/read-across predictions can be trusted: a novel approach for establishing a model's applicability domain
    Authors:
    Gajewicz A.
    Academic press:
    Environmental Science: Nano (rok: 2018, tom: 5, strony: 408-421), Wydawca: Royal Society of Chemistry
    Status:
    Published
    DOI:
    10.1039/C7EN00774D - link to the publication
  2. The kernel-weighted local polynomial regression (KwLPR) approach: an efficient, novel tool for development of QSAR/QSAAR toxicity extrapolation models
    Authors:
    Agnieszka Gajewicz-Skretna, Supratik Kar, Magdalena Piotrowska, Jerzy Leszczynski
    Academic press:
    Journal of Cheminformatics (rok: 2021, tom: 13, strony: 45311), Wydawca: BMC Part of Springer Nature
    Status:
    Published
    DOI:
    10.1186/s13321-021-0 - link to the publication
  3. Aquatic toxicity (Pre)screening strategy for structurally diverse chemicals: global or local classification tree models?
    Authors:
    Agnieszka Gajewicz-Skretna, Maciej Gromelski, Ewelina Wyrzykowska, Ayako Furuhama, Hiroshi Yamamoto, Noriyuki Suzuki
    Academic press:
    Ecotoxicology and Environmental Safety (rok: 2021, tom: 208, strony: 111738), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.ecoenv.2020. - link to the publication
  4. Generating accurate in silico predictions of acute aquatic toxicity for a range of organic chemicals: Towards similarity-based machine learning methods
    Authors:
    Agnieszka Gajewicz-Skretna, Ayako Furuhama, Hiroshi Yamamoto, Noriyuki Suzuki
    Academic press:
    Chemosphere (rok: 2021, tom: 280, strony: 130681), Wydawca: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.chemosphere.2021.130681 - link to the publication
  5. New Workflow for QSAR Model Development from Small Data Sets: Small Dataset Curator and Small Dataset Modeler. Integration of Data Curation, Exhaustive Double Cross-Validation, and a Set of Optimal Model Selection Techniques
    Authors:
    Pravin Ambure, Agnieszka Gajewicz-Skretna, M. Natalia D. S. Cordeiro, Kunal Roy
    Academic press:
    Journal of Chemical Information and Modeling (rok: 2019, tom: 59, strony: 4070-4076), Wydawca: ACS Publications
    Status:
    Published
    DOI:
    10.1021/acs.jcim.9b00476 - link to the publication
  6. Quantitative multi-species toxicity modeling: Does a multi-species, machine learning model provide better performance than a single-species model for the evaluation of acute aquatic toxicity by organic pollutants?
    Authors:
    Agnieszka Gajewicz-Skretna, Ewelina Wyrzykowska, Maciej Gromelski
    Academic press:
    Science of the Total Environment (rok: 2022, ), Wydawca: Elsevier
    Status:
    Accepted for publication
    DOI:
    brak - link to the publication

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