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ChemAi

This specialized chemistry chatbot allows users to input a chemical compound name or draw its structure using the SMILES method and retrieve detailed information about the compound. Users can also engage in a chat to get more in-depth information about the compound. This project is developed using React.js, Redux.js, Typescript, Tailwind, and DaisyUi.

Here is a Live Demo

Chemai

Features

  • Input Chemical Compound Name: Users can input the name of a chemical compound.
  • Draw Structure using SMILES: Users can draw the structure of the chemical compound using the SMILES (Simplified Molecular Input Line Entry System) notation.
  • Retrieve Information: The app provides detailed information about the compound, including its properties, uses, safety information, and more.
  • Interactive Chat: Users can engage in a chat to get more information and ask specific questions about the compound.

SMILES Method

The SMILES (Simplified Molecular Input Line Entry System) is a specification in the form of a line notation for describing the structure of chemical species using short ASCII strings. It allows users to draw the structure of a compound in a simple and standardized way.

Chat Functionality

The app features an interactive chat that allows users to ask questions and get more detailed information about the chemical compound. The chat is powered by a chatbot that can understand and respond to queries related to chemical compounds.

Examples

Here are a few examples of how you can use the app:

Input Chemical Compound Name:

Enter "Aspirin" and click on 'Send Button' to see detailed information about Aspirin. Draw Structure using SMILES:

Draw the structure for "CC(=O)OC1=CC=CC=C1C(=O)O" (Aspirin) using the SMILES editor and retrieve information. Interactive Chat:

Ask the chatbot "What are the uses of Aspirin?" and get a detailed response.

Run Locally

To run this project, you will need to add the following environment variables to your .env file

Groq API key: REACT_APP_API

Your Domain URL: REACT_APP_DOMAIN

Clone the project

  git clone https://github.com/simamojtahedi/chem-ai

Go to the project directory

  cd chem-ai

Install dependencies

  npm install

Start the server

  npm run start

License

This project is licensed under the MIT License. See the LICENSE file for more details.

Contact

If you have any questions or need further assistance, feel free to reach out at [[email protected]].

Thank you for using ChemAi! I hope you find it useful and informative.

Authors