Design the next generation of sustainable cosmetic formulations at the molecular level
A digital chemistry platform for modern industrial R&D teams.
Core pillars of our computational software:
Physics-based modeling
Predict accurately with models grounded in physics
Machine learning
Accelerate insights by exploring vast chemical space
Collaborative informatics
Democratize access to data and predictive models
Accelerate sustainable formulation design
Optimize formulations for cosmetics, fragrance and personal care
- Model and quantify interface interactions between product formulations and their biological substrates (i.e. F-layer of hair follicles and shampoo formulations)
Innovate with bio-based ingredients for sustainable design
- Simulate micelle formation, morphology, and self assembly of emulsifiers with bio-based ingredients
Speed up formulation development with virtual screening and machine learning
- Identify high-performance active ingredients with large-scale virtual screening of multi-ingredient systems
Gain deep insight into nanoemulsions and phase behaviors
- Simulate phase diagrams, multi-component separation/aggregation of nanoemulsion systems
Accelerate molecular design and evaluate chemical stability of ingredients to gain insight into product shelf life
- Predict stability, decomposition, and spectroscopic properties of molecules
Digital chemistry in action
“On average, applying Schrödinger’s technology has expedited timelines against a purely experimental approach. As a result, we are adopting digital simulation as part of our innovation strategy. We have enjoyed our collaboration and we are eager to continue to apply the approach across more brands for both innovation and problem-solving.”
—Martin Settle,
Senior Research Manager,
Polymer Science Sustainability & Packaging, Reckitt