Review on AI-Driven and In Silico Design of Cosmetics

Sureyya Olgen

doi:10.52711/2321-5844.2026.00023

Research Journal of Topical and Cosmetic Sciences

ISSN

2321-5844 (Online)
0976-2981 (Print)

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Review on AI-Driven and In Silico Design of Cosmetics

Author(s): Sureyya Olgen

Email(s): sureyya.olgen@istinye.edu.tr

DOI: 10.52711/2321-5844.2026.00023

Address: Sureyya Olgen
Istinye University, Faculty of Pharmacy, Department of Pharmaceutical Chemistry, Vadi Campus, 34396, Sarıyer, İstanbul, Turkey.
*Corresponding Author

Published In: Volume - 17, Issue - 2, Year - 2026

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ABSTRACT:
Studies to identify new cosmetic molecules using modeling techniques similar to the those used in the design of drug molecules have increased in recent years. Mostly, AI-assisted selection of dermo-cosmetics based on skin characteristics and perfume selection based on individual preference have been reported. Several programs were developed to enable these selections. Well-known cosmetics companies also utilize these programs and invest huge amount of money for novel studies to reach the best models. Generated AI models are developed as novel applications from the design and development phase of cosmetics into their clinical use. These techniques have been created to ensure that cosmetics are harmless, have effective formulations, and fulfill their cosmetic functions. In this article, information about in silico techniques to design novel molecules that interact specifically with the odor receptors is explained. For this aim, a summary of molecular modeling studies and chemo-informatic screenings is provided. AI-assisted methods used in the design of chemical compounds found in cosmetics, their interactions at the receptor level, and studies demonstrating their effectiveness are also summarized. In addition, the role of AI in cosmetic production is given and discussed.

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Cite this article:
Sureyya Olgen. Review on AI-Driven and In Silico Design of Cosmetics. Research Journal of Topical and Cosmetic Sciences. 2026; 17(2):149-6. doi: 10.52711/2321-5844.2026.00023

Cite(Electronic):
Sureyya Olgen. Review on AI-Driven and In Silico Design of Cosmetics. Research Journal of Topical and Cosmetic Sciences. 2026; 17(2):149-6. doi: 10.52711/2321-5844.2026.00023 Available on: https://rjtcsonline.com/AbstractView.aspx?PID=2026-17-2-8

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Research Journal of Topical and Cosmetic Sciences (RJTCS) is an international, peer-reviewed journal, correspondence in the fields of skin and cosmetic research....... Read more >>>

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DOI: 10.5958/2321-5844