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 webbrowser 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 complete architecture for enumerating, analyzing, submitting and plating large combinatorial or small biased libraries. We believe the implementation of this highly interactive system has given our scientists a competitive advantage by maintaining their focus on the lowest risk, highest quality molecules throughout the research process.
Keywords: intellectual property (IP), dictate database (DB), IPAQ Transactions, computational techniques, library synthesis
Combinatorial Chemistry & High Throughput Screening
Title: Interactive Tools for Risk Reduction and Efficiency Improvements in Medicinal Chemistry
Volume: 9 Issue: 2
Author(s): Kevin C. Brogle, Cindy Lin and Paul R. Blake
Affiliation:
Keywords: intellectual property (IP), dictate database (DB), IPAQ Transactions, computational techniques, library synthesis
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 webbrowser 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 complete architecture for enumerating, analyzing, submitting and plating large combinatorial or small biased libraries. We believe the implementation of this highly interactive system has given our scientists a competitive advantage by maintaining their focus on the lowest risk, highest quality molecules throughout the research process.
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Cite this article as:
Brogle C. Kevin, Lin Cindy and Blake R. Paul, Interactive Tools for Risk Reduction and Efficiency Improvements in Medicinal Chemistry, Combinatorial Chemistry & High Throughput Screening 2006; 9 (2) . https://dx.doi.org/10.2174/138620706775541828
DOI https://dx.doi.org/10.2174/138620706775541828 |
Print ISSN 1386-2073 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-5402 |
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