A Monte Carlo method based QSPR model for prediction of reaction rate constants of hydrated electrons with organic contaminants-Reference-Cited by-同舟云学术

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A Monte Carlo method based QSPR model for prediction of reaction rate constants of hydrated electrons with organic contaminants

Published:2020-11-12 Issue:12 Volume:31 Page:935-950
ISSN:1062-936X
Container-title:SAR and QSAR in Environmental Research
language:en
Short-container-title:SAR and QSAR in Environmental Research

Author:

Ahmadi S.¹,Lotfi S.²,Kumar P.³^ORCID

Affiliation:

1. Department of Chemistry, Faculty of Pharmaceutical Chemistry, Tehran Medical Sciences, Islamic Azad University, Tehran, Iran

2. Department of Chemistry, Payame Noor University (PNU), Tehran, Iran

3. Department of Chemistry, Kurukshetra University, Kurukshetra, Haryana, India

Publisher

Informa UK Limited

Subject

Drug Discovery,Molecular Medicine,General Medicine,Bioengineering

Link

https://www.tandfonline.com/doi/pdf/10.1080/1062936X.2020.1842495

Reference52 articles.

1. Visible light-driven multi-motion modes CNC/TiO2 nanomotors for highly efficient degradation of emerging contaminants

2. Prediction of rate constants for radical degradation of aromatic pollutants in water matrix: A QSAR study

3. The fate and importance of organics in drinking water treatment: a review

4. Mechanism and efficiency of contaminant reduction by hydrated electron in the sulfite/iodide/UV process

5. Critical Review of rate constants for reactions of hydrated electrons, hydrogen atoms and hydroxyl radicals (⋅OH/⋅O− in Aqueous Solution

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1. Multicellular target QSAR models for predicting of novel inhibitors against pancreatic cancer by Monte Carlo approach;Results in Chemistry;2024-08

2. Computation of Topological Indices of Binary and Ternary Trees using Algorithmic Approach;IRAN J MATH CHEM;2024

3. Molecular toxicity of nitrobenzene derivatives to tetrahymena pyriformis based on SMILES descriptors using Monte Carlo, docking, and MD simulations;Computers in Biology and Medicine;2024-02

4. Integrating molecular descriptors for enhanced prediction: Shedding light on the potential of pH to model hydrated electron reaction rates for organic compounds;Chemosphere;2024-02

5. A new perspective on predicting the reaction rate constants of hydrated electrons for organic contaminants: Exploring molecular structure characterization methods and ambient conditions;Science of The Total Environment;2023-12

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