Combined physics-based and AI platform for ingredient characterization

Overview

The combined physics-based and AI platform from Schrodinger revolutionizes ingredient characterization and formulation optimization in the cosmetic and laundry sectors. By integrating molecular simulations with machine learning, the platform accelerates the identification and characterization of ingredient properties, facilitating the development of optimized formulations tailored to specific applications.

Technical specifications

• Molecular simulations: Employs classical molecular dynamics and potentially quantum mechanical simulations to generate essential physicochemical properties.
• Machine learning integration: Utilizes chemically aware machine learned models built from a combination of experimental and simulation data, enhancing the accuracy and predictive power of ingredient characterization.
• Data-driven formulation optimization: Leverages descriptors from simulations to build machine learning models that guide experimental formulations, incorporating multiple ingredients for comprehensive optimization.
• Customizable experimentation: Capable of generating a statement of work (SOW) tailored to client applications to ensure relevant data and model development.

Technology readiness level

This platform has achieved a Technology Readiness Level of 9, indicating it is fully operational and ready for deployment in commercial applications, with established validation processes and comprehensive support for client-specific needs.