PhysChem Software for Groups...Large or Small
Corporate packages now available.
Bring ACD/Labs PhysChem software to the desktops of all scientists.
The fundamental physicochemical properties logP, logD, pKa, and solubility have a critical impact on compound optimization, whether the end-goal is a pharmaceutical drug, an agrochemical, a fragrance, or a fine chemical. Not only does property profiling save the chemist time and effort by limiting the number of syntheses that must be undertaken, but this type of forward-thinking also helps to focus synthetic efforts on candidates more likely to be successful final products.
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| What Do We Offer? |
ACD/Labs industry-leading PhysChem software offers a number of capabilities that allow chemists to:
- Get real-time access to predicted values based on chemical structure
- Automatically generate analogs with substituents that modify a given property
- Review, at-a-glance, the full property profile of a compound; with graphs showing the pH dependence of solubility and logD; correlation of pKa values with reactive centers; and molecular properties including logP and Rule-of-5 parameters
- Critically evaluate and interpret results through detailed explanations of the calculation protocols
Our flexible deployment options also allow a company or department to provide access to ACD/Labs algorithms in the most convenient manner—real-time predictions through a corporate intranet system; on a submission basis, or as desktop applications.
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| Who's Using It? |
Many companies have armed large groups of scientists with ACD/Labs PhysChem tools to increase productivity and efficiency, including pharmaceuticals. GSK and Pfizer, for example, have deployed our full predictive software to all of their scientists worldwide. It is being used by computational chemists, preformulation scientists, property measurement groups, and analytical chemists, as well as medicinal chemists. Primary applications of the software span compound selection in library screening, planning of experiments and analytical methodology, and lead optimization.
Kevin Judice, CSO at Achaogen, a small biotech that deployed ACD/Structure Design Suite for their computational experts in tandem with Structure Designer for their team of medicinal chemists says:
"Structure Designer allows us to both accurately and rapidly predict physiochemical properties for our compounds, and correlate this information with biological activity, a process that would take months to complete if performed experimentally...This is invaluable to a small, growing company where resources sometimes fall behind the rapid pace of drug discovery."
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If you feel that your organization can benefit from deploying property prediction software to scientists, contact us by phone, or email physchem@acdlabs.com to request more information about the PhysChem corporate package and the available deployment options.
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