Welcome to the Peptaloid Database, the first dedicated platform for exploring peptide alkaloid molecules. This React-based web interface offers researchers a powerful tool to access comprehensive data on over 161,000 peptide alkaloid compounds, aimed at facilitating drug discovery and research in pharmaceutical sciences.
- Advanced Search: Refine searches based on molecular characteristics, making exploration efficient and focused.
- Molecular Data Visualization: View detailed structural, physicochemical, and ADMET properties of peptide alkaloids.
- Data Download: Export datasets for offline analysis.
- API Integration: Access and manipulate data seamlessly using backend APIs.
- Programmatic Access: Tools for generating molecular structures, property predictions, and similarity analysis based on SMILES strings.
Ensure that Node.js and npm (Node Package Manager) are installed on your machine.
- Clone the repository.
- Install dependencies by running
npm installin the project directory.
npm start: Runs the app in development mode. Open http://localhost:3000 to view it.npm test: Launches the test runner in interactive watch mode.npm run build: Bundles the app for production.npm run eject: Ejects the configuration files for full control over the build process.
For more detailed documentation on advanced configuration, code splitting, and deployment, see the manual.md.
We welcome contributions to enhance the Peptaloid Database. Whether fixing bugs, adding features, or improving documentation, feel free to submit pull requests or open issues.
Figure 1: Schematic diagram for the architecture of Peptaloid database. Presents the different modules and how they interact to support comprehensive data management and analysis.
The Peptaloid peptide-alkaloid database was developed in collaboration with Bibhu Prasad Behera and Hemangini Naik.
This project is licensed under the MIT License - see the LICENSE file for details.