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

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

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article

2D QSAR model based on drugs phytoxicity on lactuca sativa seeds

Eloisio Alexsandro Da Silva, Heberth Juliano Vieira
1 citations
International Journal of Chemical and Biological Sciences
GABA and Rice Research
1.75
article

2D QSAR model based on drugs phytoxicity on lactuca sativa seeds

Eloisio Alexsandro Da Silva, Heberth Juliano Vieira
article en
1 citations

Abstract

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.

International Journal of Chemical and Biological SciencesVol. 7(1)
Coordenação de Aperfeiçoamento de Pessoal de Nível Superior
Zero hunger
Openalex Percentile: Top 16%
GABA and Rice Research
1.75
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