Molecular Data Generation

Controlled molecule generation and design

Molecular Data Generation in Faraday

Faraday provides powerful controlled data generation capabilities to help you expand your chemical libraries and explore new molecular space systematically. Generate a user-defined number of novel molecules starting from any valid, drug-like structure(s), enabling comprehensive SAR exploration, analog generation, library expansion, and scaffold hopping.

Controlled Data Generation

Generate a user-defined number of novel molecules starting from any valid, drug-like structure(s). Faraday supports multiple approaches to molecular generation, allowing you to explore chemical space in a controlled and systematic manner.

Key capabilities include:

• SAR exploration – Generate analogs to understand structure-activity relationships
• Analog generation – Create similar molecules with desired modifications
• Library expansion – Scale up your compound collections efficiently
• Scaffold hopping – Explore alternative core structures with similar properties
• User-defined quantities – Generate exactly the number of molecules you need
• Drug-like filtering – Ensure generated molecules meet pharmaceutical standards

Sample prompts:

• Generate 50 analogs of [SMILES string]
• Create a library of 100 molecules similar to aspirin
• Generate scaffold hops for this compound: [SMILES]
• Expand my dataset with 200 drug-like molecules based on these structures
• Create analogs with improved solubility for [compound name]
• Generate diverse molecules for SAR exploration around this hit: [SMILES]

Example:

Try it out

Try it for yourself on the platform