2D QSAR model based on drugs phytoxicity on lactuca sativa seeds
2D QSAR model based on drugs phytoxicity on lactuca sativa seeds. The concern with monitoring the environmental impact of anthropogenic activities is current and constant. Acute toxicity tests of chemical substances on organisms are essential to help assess the impact on various environments. The information on the toxicity of pollutants to organisms is essential data, as well as the knowledge of the substance's effect on them. Data on the phytotoxicity of pollutants such as pharmaceuticals are essential in this context. In this work, the development of a QSAR-2D model for predicting the phytotoxicity of drugs on Lactuca sativa was proposed. The model, based on available data on the phytotoxicity of drugs on seed radicle elongation, uses the EC50 of these drugs and their molecular descriptors. The QSAR model, obtained using the BuildQSAR software and descriptors AATS0e, MATS8i, and minHssNH, but also showcases robustness, enhancing trust in its predictive reliability.
Authors
- Eloisio Alexsandro Da Silva
- Heberth Juliano Vieira
Publication Details
- Journal
- International Journal of Chemical and Biological Sciences
- Published
- 2025-01-01
- DOI
- https://doi.org/10.33545/26646765.2025.v7.i1a.128
- Citations
- 1
- Primary Topic
- GABA and Rice Research
- Type
- article
- Field-Weighted Citation Impact
- 1.75
Funders
- Coordenação de Aperfeiçoamento de Pessoal de Nível Superior