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Avistron - Computational Chemistry Services
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We have access to state of the art design software tools which in the hands of our computational chemistry experts mean that we can design and deliver the compounds which are most likely to be those that you need to accelerate your drug discovery programmes.
Our range of available techniques allows us to tailor a bespoke solution which is most beneficial for your project.
We have key capabilities in the following areas:
*Ligand- and structure-based design *Wide-ranging domain expertise *Hit identification and optimisation driven by activity, selectivity and ADME properties *Library design and data mining *Template hopping to navigate IP space and to identify ideas with potential for development
Library Design at Avistron
Avistron’s scientists have extensive experience of compound and library design. Our background is in synthetic, medicinal and computational chemistry and we have worked successfully with a large proportion of the world’s pharmaceutical and biotechnology companies.
Avistron has a large and growing virtual database of diverse library structures (>106) covering a large chemical space. Database mining can be conducted to identify the compounds most likely to show activity for the customer's intended target and subsequent design and filtering processes can be applied to design the most favourable compounds for synthesis.
A number of database mining methods are available and are selected based on the nature of the target and level of the knowledge base available and these include both ligand and structure based design methods and by consideration of ADME properties.
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