Abstract
When drug discovery projects are transferred, then rapidly assessing the available SAR in both overview and in numerical detail is a prerequisite for effective computational chemistry input. Following multiple company acquisitions, regular requirements for the approach has led to an effective and fast platform for Free-Wilson [1] based SAR review: in fact the utility is sufficient that it can for a useful reporting or project browsing tool for the busy modeller. Figure Figure11 Figure 1 In this talk it is shown how a carefully crafted PDF report can be combined with “on the fly” Matched Molecular Pair [2] and other drill downs to provide a versatile platform for SAR exploration and presentation that is appealing and to medicinal chemists.
Highlights
When drug discovery projects are transferred, rapidly assessing the available SAR in both overview and in numerical detail is a prerequisite for effective computational chemistry input
Regular requirements for the approach has led to an effective and fast platform for Free-Wilson [1] based SAR review: the utility is sufficient that it can for a useful reporting or project browsing tool for the busy modeller
Summary
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