Engaging Cresset Discovery to advance your small molecule design project

When you choose Cresset Discovery as your CRO you access a team of skilled computational and medicinal chemists. This is a large team of experienced scientists who are dedicated to solving problems from drug discovery through to agrochemical, flavor and fragrance research. In addition to providing leading scientific knowhow our highly collaborative process ensures the very best outsourcing experience. We retain no secrets when you work with us, we simply offer open and honest communication from start to finish, using simple working models to facilitate scientific excellence.

1600x900_Cresset Discovery team

Figure 1. When you outsource to Cresset Discovery, you get access to a wide and varied team of expert modelers, not just an expensive individual.

What can Cresset Discovery do for your molecule discovery and design research project?

A range of ligand-based and structure-based intelligent computational approaches are at the heart our offering to ensure you reach your goal. Ligand-centric capabilities range from building and clustering diverse 3D libraries, growing and linking fragments and creating and analyzing 3D-QSAR. Protein-centric solutions include virtual screening, ligand-protein docking, molecular dynamics, Free Energy Perturbation (FEP) and homology modeling. Additionally, we can help you bridge resource gaps, broaden and protect your IP position or reposition existing drugs. See examples of our capabilities.

Projects we have delivered for customers include:

  • Innovative 3D clustering method created to delivery diverse fragment libraries
  • Novel seed treatment discovered and patented
  • Orotomides, a new class of DHODH targeting anti-fungal drugs
  • Customer IP position broadened and protected with scaffold hopping
  • Discovering a novel therapy for UTIs through outsourcing in silico drug discovery
  • Identifying promising inhibitors against epilepsy using virtual screening

Read all case studies.

What can you expect and how do projects evolve?

The truth is that there is no single way that a project can develop, so Cresset Discovery scientists are adept at meeting the demands of project evolution. There are, however, certain pillars and standards you can expect when working with us. So, what are they and how do they shape the outsourcing experience? Figure 2 shows a typical workflow that can be expected when engaging in a collaboration with us. However, this is a flexible process that can be adapted to suit the needs of your project.

Enquire-Establish-Execute-Evaluate project framework

Figure 2. A typical workflow that can be expected when engaging in a collaboration with Cresset Discovery.


The first interaction that kicks off a new project is a confidential no-risk, free of charge, discussion. From your description of your project status and goals we will identify key ideas and concepts where we can add value.


Following initial enquiry stages, you will be invited to an in-depth discussion with the Cresset Discovery team whose scientific experience aligns best with the project requirements. At this stage you may be asked to provide specific details and data to facilitate effective preliminary investigation. Confidentiality is one of our core values, and is protected at this stage under a signed CDA or NDA.

Preliminary investigation is intended to focus the work proposal to maximize your return on investment. Where there is interest in multiple biological targets, preliminary work often involves triaging. This can help identify which targets are amenable to computational chemistry modeling and, therefore, which targets may be best to begin with.

Information from preliminary investigation is used to prepare an informed proposal, outlining all planned modeling activities for your project. Though the proposal is often a very good estimate, informed by several decades of combined chemical discovery experience in the team; the dynamic nature of scientific research means that it is normal for adjustments to be made throughout the evolution of the work.

Though we can offer bespoke working arrangements to suit a wide range of customers, proposals usually follow one of two common working models. The first is a task-based approach, which is typically chosen for smaller pieces of work, where the goal and scientific process is clear a priority. The second working model is a time-based approach, where you buy a block of working days from Cresset Discovery. This enables longer and more explorative scientific investigation and enables the modeler to employ their experience and wider scientific intuition.


Upon agreement of the proposal and signing of contracts we will commence work on your project. You can expect regular update meetings when we will share all new findings. Additionally, any changes to the original strategy can be discussed, often in response to emerging computational or experimental evidence.

We do not seek to own any intellectual property from your project; all scientific materials relating to the work belongs to you, including all files and raw data.


When a cycle of work has been completed, e.g., all tasks on a proposal have been addressed, then a review session will be arranged to discuss the outcomes of the project against the pre-agreed milestones. It is here that additional work, or even new investigations, can be discussed. Often, one project leads to another, as is the nature of scientific work. Given our high rates of success in computational modeling, you can expect to feel a strong return on investment, and it is common for working partnerships to be formed that last several years and span multiple projects.

We pride ourselves on forming relationships with customers that are built on trust and integrity. The confidentiality of our customers is of upmost importance, so we will not discuss any cases without explicit permission.

Accelerate your project with Cresset Discovery

Cresset Discovery serves not just as a CRO, but as a true partner for computational modeling. Our enquire–establish–execute–evaluate approach is tried and tested at helping our customers to make the molecules that matter.

To find out how to accelerate your discovery project, and optimize your research investment contact us to request a no-risk free confidential discussion.

Contact us for a free confidential discussion

Contact us for a free confidential discussion
Discovery CRO