Generative Chemistry and DFT Acceleration

Microsoft wants to enable every individual and every organization on the planet to reach their full potential

Scientists can find new, synthesizable, and practical compounds more quickly thanks to generative chemistry

There are still numerous undiscovered molecular entities and compounds among the hundreds of millions of known ones

Several AI models are used in conjunction with a special technique to find new chemicals that meet your requirements

AI-based screening models forecast candidate molecule characteristics like density, solubility, and boiling point that are crucial for practical uses

The directed  AI creation receives this information via a feedback loop, which modifies the candidate molecule selection process

This is because certain novel molecules with desirable features could be challenging to synthesise