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Using MDL Metabolite to probe the probable


It's easy to use a database to answer a specific question, such as "Has work been done on this substructure in the past?" or "What metabolic transformations have been observed with this substructure?" But one researcher at AstraZeneca PLC has extended searching beyond "Yes" and "No" questions to look instead for the possible and probable.

Dr. Scott Boyer, a senior research scientist in AstraZeneca's global chemistry-enabling sciences and technology group in Molndal, Sweden, has been using Metabolite for six years. Like other scientists within the company's preclinical units, Boyer has long found the database a valuable resource.

"Our knowledge about drug metabolism is spread out in the literature, and many times it is difficult even for those of us who are supposed to be experts to keep track of the research," Boyer said. "And it's even harder for non-experts, such as medicinal chemists, who also rely on this information."

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