2006
DOI: 10.2174/138620706775541828
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Interactive Tools for Risk Reduction and Efficiency Improvements in Medicinal Chemistry

Abstract: There are many decisions and risks associated with the design and development of new pharmaceutical agents. To help improve decision-making, and reduce the associated risks--prior to synthesis, we have developed interactive web-browser tools for: (i) tracking, searching, clustering and categorizing (by reactive moieties) chemical reactants, (ii) interactively assessing risks, either synthetic--based on prior experience, absorption following oral administration--based on rules of 5, or diversity, and (iii) a co… Show more

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