Computational Chemistry Drug Discovery Expertise

Computational chemistry drug discovery expertise

Computational chemistry at Symeres helps you design better compounds, faster. We use modeling, virtual screening, and data-driven analysis to guide medicinal chemistry and reduce trial-and-error at every stage – from target identification to hit optimization.

Our teams combine structure-based and ligand-based design with practical chemistry insight, giving you clear predictions and experimental plans that stand up in the lab. Whether supporting a standalone project or an integrated discovery program, we focus on what matters most: reliable data, informed choices, and fewer wasted cycles.

When priorities shift or data creates surprises, we adjust quickly – keeping your program moving without losing scientific depth or context.

Related services

Medicinal chemistry

Synthetic chemistry

Speciality chemistry

Computational chemistry expertise and close collaboration

From hit to IND

Decades of expertise in modeling and data analysis that guide every decision from hit finding through preclinical design.

Smart screening

Virtual screening, scaffold hopping, and library design to find better leads in less time.

Connected science

Direct collaboration across medicinal chemistry, ADME and computational science reduces risk, and gives clear insight and faster course correction.

Connected chemistry

We integrate computational chemistry, medicinal and synthetic chemistry, with scalable process development, so design ideas translate directly into real compounds.

Our chemists test hypotheses quickly, refine designs based on measured results, and scale successful compounds without disruption. That connection between design, data, and delivery keeps discovery efficient and reliable from concept to clinic.

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What do our partners say?

“We are developing the most complex molecule that is built at this time in the world…We work with a lot of CROs, also chemistry CROs, and so far Symeres has done the best job with respect to transparency and also to troubleshoot the problems and find a solution. Over the years we have been really impressed with the work that Symeres has done.”

Founder

Biotech

“A sign that things are going well - we keep coming to you. We’ve given Symeres five or six different projects already. That’s almost unheard of for us.“

Senior Director, Manufacturing

Top 10 global pharma

“We’ve been with them…over 10 years. The cost, the flexibility - the value is just so strong. That’s why we’ve stuck with them.”

Senior Director, CMC

Biotech

“The progression was really phenomenal. I am truly impressed. There is a world of difference between you and other CROs.”

Start-up Founder

Biotech

“They’ve always met or exceeded my expectations - that’s why I continue to come back, company after company, year after year.”

Allen Horhota, Vice-President Platform & Delivery

Seamless Therapeutics

“If the compound can be made, Symeres will undoubtedly find out a good way to make it.”

Dooyoung Jung, CEO

Pinotbio

“I would like to extend my thanks for the excellent work Symeres has done in synthesizing the API for Part 1 of our project. Your communication throughout the process was outstanding, and the sense of urgency with which you operated allowed us to complete this phase promptly and efficiently.”

Leader

Large biotech

“The team is making short work of these targets, so we will have to start thinking of some additional targets!”

Director

Biotech

“Through our dedicated FTE resource at Symeres we have achieved remarkable results, not only by developing a new “aspirational” synthetic route but also by significantly improving the current one to deliver a sustainable route for commercial production and giving us two options for late development.”

Associate Director

Large pharma, Europe

Your discovery and development partner

Symeres supports small-molecule programs from discovery through IND with openness, agility and scientific depth.

Our connected teams in Europe and North America share data transparently, adapt quickly to new results, and stay accountable from first experiments to IND, to keep your progress clear, connected and continuous.

Learn about us

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