# Swift Trials
Welcome to Swift Trials, a comprehensive tool for managing and analyzing SMILES data with a focus on toxicity assessment and patient flagging.
## Features
### 1. Toxicity Report for SMILES
Generate detailed toxicity reports for SMILES data. Identify potential toxic compounds and assess their impact with our sophisticated analysis tools.
### 2. Patient Flagging
Flag patients based on specific criteria to highlight potential issues or concerns. Improve patient management and streamline decision-making processes. Input patient report and get complete information about the patient for drug files.
### 3. SMILES Similarity Score
Calculate SMILES similarity scores to measure the resemblance between chemical structures. Identify similarities and differences to support various research and analysis tasks.
## Future Plans
In the future, we plan to incorporate AI to simulate all parameters once we have enough data.
## Installation
To install Swift Trials, follow these steps:
1. Clone the repository:
git clone https://github.com/theharshithh/swift-trials.git
2. Navigate to the project directory:
cd swift-trials
3. Install dependencies:
pip install -r requirements.txt
## Usage
To use Swift Trials, follow these guidelines:
1. Prepare your SMILES data.
2. Use the provided functions or command-line tools to manage and analyze your data.
3. Refer to the documentation for detailed instructions on each feature.
## Contributing
We welcome contributions from the community! To contribute to Swift Trials, please follow these steps:
1. Fork the repository.
2. Create a new branch for your feature or bug fix.
3. Make your changes and ensure tests pass.
4. Submit a pull request with a clear description of your changes.
## Credits
- Author 1: [@author1](https://github.com/theharshithh)
- Author 2: [@author2](https://github.com/Tejas-R-Pattar)
- Author 3: [@author3](https://github.com/ApoorvBrooklyn)
## Contact
For support or inquiries, please contact the Swift Trials team at kharshithmurthy@gmail.com