Rohanandsahil

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Rohanandsahil

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rohansahu02

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Project Proposal (MINI PROJECT)

Project Title
Drug Research Platform
Team Members:

Rohan Sahu (2k22/SE/139)

Sahil(2k22/SE/149)

Date:
12/11/2024

1. Introduction
An innovative drug research platform designed to empower researchers and developers in
molecular science, this solution uses the latest Next.js framework, AI, and modern web
technologies. It streamlines molecular visualization, enables molecule generation using SMILES
(Simplified Molecular Input Line Entry System) notation, and facilitates collaboration through
real-time messaging. The platform aims to facilitate research, enhance accuracy in molecular
design, and improve decision-making in drug development. It also helps in keeping the track of the
research progress to make better decision making and backtracking the research.

2. Project Objectives
The primary objectives of this platform are to:

1. Provide an Interactive Molecular Visualization Tool: Allow researchers to visualize

complex molecular structures interactively for detailed analysis.
2. Enable Custom Molecule Generation: Support the creation of new molecules using
SMILES (Simplified Molecular Input Line Entry System) notation to explore molecular
variations and potential drug candidates.
3. Facilitate Real-Time Collaboration: Incorporate group messaging features, enabling
researchers to collaborate and share insights seamlessly.
4. Using AI for Enhanced Molecular Insights: Utilize AI-driven tools to analyse molecular
data and suggest potential binding sites, properties, and drug interactions.
5. Streamline the Research Workflow: Offer an all-in-one platform that integrates tools for
molecular visualization, molecule creation, and team communication.
6. Backtracking: offer the researcher to backtrack its research progress, so that researcher can
analyse the progress.
3. Project Scope and Features
This project will include the following

1. Molecular Visualization: Users can load and visualize molecular structures in 3D for a
comprehensive view of protein-ligand interactions and binding sites.
2. Molecule Generation Using SMILES: Researchers can input SMILES notation to
generate and modify molecular structures, facilitating custom drug design.
3. Real-Time Group Messaging: Enable real-time chat and messaging within teams,
allowing for efficient discussion, idea sharing, and problem-solving.
4. AI-Assisted Analysis: Integrate AI models to provide insights such as molecular stability,
binding affinity predictions, and toxicity assessments.
5. Data Export and Import: Allow users to upload molecular data files and export research
results for presentations, collaborations, and further study.

4. Technical Approach
Frontend Development

• Framework: Use Next.js to build fast, server-rendered applications with responsive design.
• Visualization Libraries: Integrate libraries like 3Dmol.js or NGL Viewer for interactive
molecular structure rendering.
• UI Components: Design user-friendly interfaces for molecular viewing, SMILES input,
and messaging functionalities.
Backend Development

• Database and Storage: Utilize a database such as MongoDB or PostgreSQL for data
management, along with a cloud storage service for molecular file storage.
• Messaging System: Integrate WebSocket or similar real-time technology to support group
messaging.
• AI Integration: Deploy pre-trained AI models (or connect to APIs) for molecular analysis,
emphasizing predictive features relevant to drug design.
Database Management:
• MongoDB: it will be ideal for handling the large volumes of unstructured molecular data.
• PostgreSQL: Relational database, best for managing structured data with complex
relationships, ensuring data integrity and fast queries.
• Firebase: real-time database, suitable for enabling real-time collaboration and syncing data
across users.

Security Measures

• Authentication: Implement secure user authentication using JWT or OAuth2 protocols.

• Data Protection: Ensure data privacy with encryption, regular backups, and compliance
with standards for managing sensitive research data.
Testing and Deployment

• Testing: Perform unit and integration testing using JavaScript testing frameworks like Jest
or Mocha to verify the correctness of frontend functionalities and interactions with the
backend. Additionally, test smart contracts using Remix IDE or Ganache for local testing
and ensure the smart contract logic works as intended.

• Deployment: Deploy the frontend on cloud-based platforms such as Vercel or Netlify to

ensure fast, scalable, and secure access to the application. The smart contracts will be
deployed to a blockchain network (e.g., Ethereum, Binance Smart Chain, or a compatible
network) using deployment tools like Truffle or Hardhat for secure execution and
interaction with the decentralized application.

5. Expected Outcomes
By the end of this project, we expect to have a functional, deployed NFT marketplace where:

• Provide researchers with an advanced toolset that reduces the time and complexity of drug
research.
• Offer sophisticated molecular visualization tools for a deeper understanding of molecular
structures and interactions.
• Enable real-time collaboration, allowing teams to share insights and work together
efficiently.
• Integrate AI-powered insights to aid in the exploration, design, and analysis of new drug
compounds.
6. Project Impact and Future Scope

• scalability: Supports more complex models and accommodates growing user demand.
• Cross-Industry Use: Adaptable for biotech, environmental, and materials science research.
• Advanced AI Features: Incorporate deeper predictive analytics for drug interactions and
toxicity.
• Global Collaboration: Create a worldwide research network for sharing data and insights.
• Blockchain Integration: Enhance security and transparency in research with blockchain
technology.