Toxtree software introduction
The Toxtree platform was used to predict the carcinogenicity and genotoxicity of 984 important components of Chinese herbal medicines in the database of important components of Chinese herbal medicines established by researchers. The results showed that among the 984 important components of Chinese herbal medicines, a total of 255 had structural warnings of genotoxic carcinogenicity. (SA), 141 species have non-genotoxic carcinogenic SA, 284 species have Ames test SA, and 761 species have rodent in vivo micronucleus test SA. This article gives the prediction results of each structural classification, and gives the prediction results of carcinogenicity and genotoxicity of 120 flavonoid chemicals.
Toxtree of important ingredients of Chinese herbal medicine QSAR prediction results can be used to identify potential health hazards, screen, and evaluate the priority of experiments. However, the prediction results suggest that there are still some problems that need to be explained to further optimize the evaluation of SA and models.
Toxtree software features
Toxtree is a full-featured, flexible, user-friendly open source application capable of estimating toxic hazards by applying decision tree methods.
Toxtree can be applied to data sets from a variety of compatible file types. User-defined molecular structures are also supported - they can be entered via SMILES or using the built-in 2D structure diagram editor.
The Toxtree application is suitable for standalone PCs and can run on any platform supported by Java 1.6 or higher.
Toxtree is designed with flexibility in mind for future expansion (e.g., other classification schemes that may be developed in the future). New decision trees with arbitrary rules can be constructed with the help of a graphical user interface or by developing new plug-ins.
Toxtree installation steps
1. Download the Toxtree official version installation package from Huajun Software Park. After unzipping, double-click the "exe" file to enter the installation wizard and click Next.
2. Read the license agreement and click I Agree
3. Click Install to install Java
4. Click "Browse" to select the installation location. Generally, it defaults to the C drive. It is recommended to install on the D drive. Click Install to install.
5. The software is being installed, please wait patiently.
6.Toxtree installation is complete, click Finish to exit the installation wizard
Toxtree update log
1. Modify user-submitted bugs
2.Add new features
Huajun editor recommends:
After undergoing many updates and optimizations, Toxtree has become more user-friendly and easier to operate. The editor of Huajun Software Park personally tested it and recommends it to everyone. Interested friends can also download it.ACD ChemSketch,ZX mathematical function grapher,GeoGebra 5.0.299.0,Gear parameter calculator,Enjoy Chemistry Assistant.
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