Quantitative Structure-Activity Relationship (QSAR) Modeling for Cosmetic Product Formulation
Have you used Quantitative Structure-Activity Relationship (QSAR) modeling in order to predict which ingredients and ingredient combinations would most likely achieve target physico-chemical and sensorial attributes for your product in development; and thereby potentially speed up the formulation process?
In other words, have you used QSAR software to input candidate ingredients’ chemical characteristics; i.e., viscosity, refractive index, coefficient of friction, etc., to determine with greater speed and accuracy the most promising ingredient candidates and ingredient blend ratios in order to achieve your target product’s desired sensorial profile?
What are some software tools available to help cosmetic chemists run QSAR modeling to inform ingredient selection and optimize blending ratios before hitting the bench to begin actual lab formulation work?
Any experiences, comments and discussion about QSAR modeling for use in cosmetic product formulation would be greatly appreciated. Thanks!
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