VirMolAnalyte is an advanced AI-driven tool designed for identifying metabolites from plant, human, microbial, and drug sources. Based on 13C NMR (Nuclear Magnetic Resonance) data, this tool aims to provide researchers with an efficient and accurate solution for metabolite analysis.
Features
Computer-generated data: All data is generated by computer algorithms, ensuring efficiency and consistency.
Multi-dimensional data comparison: Supports analysis across multiple data dimensions, helping researchers gain deep insights into metabolite characteristics and their relationships.
Open-source data: All data is open-source, facilitating independent research and secondary development, promoting scientific collaboration and exchange.
Development Team
This tool is developed by the team from the Kunming Institute of Botany, Chinese Academy of Sciences, dedicated to advancing metabolite identification research.
Database
The research database includes a basic database and specific category databases:
AllDB: Also known as Metabolites Multidimensional In Silico Database (MMDB), comprising information on 605,735 metabolites.
PlantDB: An in silico database of plant-derived metabolites, containing 188,478 metabolites.
HMDB: An in silico database primarily focused on human-derived metabolites, including 217,347 metabolites.
MicroDB: An in silico database of microbial-derived metabolites, encompassing 36,427 metabolites.
DrugDB: An in silico database focused on drug-related compounds and their metabolites, including 4,280 metabolites.
Filters
The filters include three types: Carbon Number Filter (CNF), Carbon Type Number Filter (CTNF), and Molecular Weight Filter (MWF).
Evaluators
Chemical Shift Search-based evaluators: CSS and AAS
Molecular Fingerprint Search-based evaluator: FPS
Chemical Shift and Molecular Fingerprint-based evaluator: FPAACS
We are a team dedicated to providing simple and user-friendly data analysis tools. Our goal is to help users quickly understand and visualize their data, whether it's for research or everyday analysis.
Features of our tools:
Support for multiple databases
Flexible filter options
Diverse evaluation methods
Intuitive result presentation
If you have any questions or suggestions, please feel free to contact us.
Help Center
If you encounter any problems while using our tools, we hope this help center can provide answers for you.
Frequently Asked Questions:
How to input data?
Enter your data in the text box, one data point per line, in the format "Chemical Shift,Carbon type". For example:
5.2,Sample A
3.7,Sample B
6.1,Sample C
How to choose the appropriate filter?
Select the appropriate filter based on the characteristics of your data. CNF is used for noise reduction, CTNF for smoothing data, and MW for moving average.
What do the statistical data in the results represent?
The mean represents the average level of the data, the median represents the middle value, and the standard deviation represents the dispersion of the data.
If you have other questions, please refer to our detailed user manual or contact our support team.
Download
Software Download
We recommend downloading and installing the software (Contain all databases) through the following link: Download VirMolAnalyte software
For detailed instructions on how to use VirMolAnalyte, please download the user manual: Download User Manual
The full version of the software offers additional functions, including:
Automatic peak recognition and impurity removal based on raw data
Rapid construction of in silico databases tailored to user requirements
These advanced capabilities will significantly enhance your NMR data analysis workflow, saving time and improving accuracy. Download now to experience the full potential of our NMR analysis tools!
Source Code
We also provide the source code for the software, which is open-source and free to use. The source code is available via link: Download Source Code
In Silico Metabolite Databases
We offer a range of specialized in silico metabolite databases to support your research. Each database is curated to provide comprehensive coverage for specific areas of study:
AllDB: A comprehensive database covering a wide range of metabolites.
Download AllDB
PlantDB: Focused on plant metabolites, ideal for plant biology and agricultural research.
Download PlantDB
HumanDB: Specialized in human metabolites, perfect for medical and clinical research.
Download HumanDB
MicroDB: Dedicated to microbial metabolites, essential for microbiome and fermentation studies.
Download MicroDB
DrugDB: Focused on drug-related compounds and their metabolites, crucial for pharmaceutical research.
Download DrugDB
These databases are regularly updated to ensure you have access to the most current and comprehensive metabolite information. They are designed to seamlessly integrate with our NMR Analyzer software, enabling more accurate and efficient analysis of your NMR data.
Contact Us
If you have any questions, suggestions, or need further information about our tool, please don't hesitate to contact us:
Institution
Kunming Institute of Botany, Chinese Academy of Sciences
