Molecular Data Generation

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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.

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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]

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Example:

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Try it out