Industry sectors


Cresset software and discovery services have been widely applied in the pharmaceutical industry for lead design, discovery and optimization, enabling research managers and medicinal chemists to answer questions such as ‘How can I design a novel back up series?’ or ‘Which compound shall I make next?’

Our expert tools yield excellent results, whether in the hands of your chemists or our consultants.


Biotechnology deals in large molecules that are too complex to be made by chemistry alone.

Cresset software is highly effective in modeling and optimizing protein-protein interactions using 3D electrostatic shape and complementarity.

Cresset Discovery Services has a depth of experience working on biologics, including projects on viral vaccine modeling, established and novel anti-microbial targets, and modeling molecular recognition scenarios.

Flavor and fragrance

Flavors and fragrances traditionally depend on essential oils drawn from naturally occurring substances. The best synthetic substitutes retain the same odor or flavor characteristics as the natural compound.

Cresset software gives a quantitative representation of the interaction of a compound with a protein receptor. Knowing how strongly a molecule interacts at a target site, and what impact structural changes will have on the biological behavior of the compound, adds insight and control to your design process.


The tools and techniques used in drug discovery are often applicable to agrochemicals. All living organisms operate through similar chemistry. It is striking to note how many agrochemical compounds show drug-like features and indeed how many modern agrochemicals have shown excellent indications as drugs.

Fine chemicals

Dyes, paints, vitamins, cosmetics, plastics and coatings all rely on the optimal performance of small molecules. While their biological action is not always the primary function, it is vital to be aware of the ADME and toxicity effects of any molecule coming into contact with food or skin. Cresset software puts a biological lens over your compounds, letting you see and compare them in terms of their biological activity. Our software gives you insight into the biological impact of structural changes. When looking to improve the behavior of existing compounds we can help you minimize the risk of potential toxic side effects.


Cresset technology adds insight and value to the design of fuel additives and of performance chemicals for the refinement process. Our expertise in analyzing the physico-chemical fields of small molecules gives a basis for comparing the chemical similarity between structurally different molecules. Our software could transform your chemical design process.


Cresset offers a range of flexible licensing terms to PhD students, course tutors, principal investigators, postdoctoral researchers and department heads for both ligand-based and structure-based applications.

Request a software evaluation, Torx® demo or Discovery CRO discussion

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