3D-QSAR for binding constants of β-cyclodextrin host-guest complexes by utilising spectrophores as molecular descriptors-Reference-Cited by-同舟云学术

3D-QSAR for binding constants of β-cyclodextrin host-guest complexes by utilising spectrophores as molecular descriptors

Published:2019-06 Issue: Volume:225 Page:135-138
ISSN:0045-6535
Container-title:Chemosphere
language:en
Short-container-title:Chemosphere

Author:

Jeschke Steffen^ORCID,Cole Ivan S.

Publisher

Elsevier BV

Subject

General Medicine,General Chemistry,Environmental Chemistry,Environmental Engineering,Pollution,Health, Toxicology and Mutagenesis,Public Health, Environmental and Occupational Health

Reference33 articles.

1. Open babel: an open chemical toolbox;O'Boyle;J. Cheminf.,2011

2. Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit;O'Boyle;Chem. Cent. J.,2008

3. 3D molecular fragment descriptors for structure–property modeling: predicting the free energies for the complexation between antipodal guests and β-cyclodextrins;Solovev;J. Inclusion Phenom. Macrocycl. Chem.,2017

4. Computer-aided drug design to explore cyclodextrin therapeutics and biomedical applications;Abdolmaleki,2017

5. 3D-QSAR and docking studies of the stability constants of different guest molecules with beta-cyclodextrin;Ahmadi;J. Inclusion Phenom. Macrocycl. Chem.,2014

Cited by 13 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. A Review of Machine Learning and QSAR/QSPR Predictions for Complexes of Organic Molecules with Cyclodextrins;Molecules;2024-07-02

2. Application of sodium sulfobutylether-β-cyclodextrin based on encapsulation;Carbohydrate Polymers;2024-06

3. QSPR models for complexation performance of α-cyclodextrin and β-cyclodextrin complexes by norm indices;Chemical Engineering Science;2024-02

4. Environment-friendly and high-performance azo dye substitutes for enhanced optical characteristics and color fastness: Design and screening, risk assessment and mechanism analysis;Journal of Environmental Chemical Engineering;2023-10

5. Investigate the designing of eutectic mixture using DFT computation and evaluate their biological potency using molecular docking;Journal of Molecular Liquids;2023-07