Metal bioaccumulation prediction <i>via</i> QSPR-q-RASPR synergy and cross-species risk analysis
This study presents novel QSPR, q-RASPR, and SbSD models designed to predict metal bioaccumulation across a wide range of species and to identify the key molecular factors influencing this process.
Authors
- Sk. Abdul Amin (ORCID: https://orcid.org/0000-0003-4799-7322)
- Vimala D. Nair (ORCID: https://orcid.org/0000-0002-1096-284X)
- Agnieszka Gajewicz (ORCID: https://orcid.org/0000-0001-7702-210X)
- Kabiruddin Khan (ORCID: https://orcid.org/0000-0003-4849-4516)
- Gopala Krishna Jillella
- Ramin Abdullayev
- Joyita Roy
- Mahmoud Bousily
Institutions
- University of Salerno (IT)
- University of Gdańsk (PL)
- G Pulla Reddy Dental College & Hospital (IN)
Publication Details
- Journal
- Green Chemistry
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5gc00904a
- Citations
- 2
- Primary Topic
- Computational Drug Discovery Methods
- Type
- article
- Field-Weighted Citation Impact
- 3.01
Funders
- Narodowe Centrum Nauki
- HORIZON EUROPE Marie Sklodowska-Curie Actions