Industry sectors

Much of our work is with the pharmaceutical industry, but our technology adds insight and value in a range of industries where researchers are working on small molecule design.


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.

Flavors and fragrances

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.


Cresset software 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’s software has been widely applied in the pharmaceutical industry for lead design, discovery and optimization. Our desktop tools help research managers and medicinal chemists 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. Browse our case studies for a range of real applications.