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huqionghhkk木虫 (小有名气)
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[求助]
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A widely used method to judge compounds for drug discovery is the “rule of 5” (RO5) (6), which predicts poor absorption or permeation for compounds that deviate from property-value constraints: H-bond donors (Hd) and acceptors (Ha), molecular weight (MW), and calculated partition coefficients (cLogP). Recent studies have attempted to refine such rules (7–9) and extend them to other goals (10–13), such as making leads or probes. Such property filters have been debated and reviewed (14–16), and their long-term impact on pharmaceutical research is starting to be analyzed (17, 18). Importantly, exceptions to these rules, including natural products (19–21), are well-noted and suggest that previously undescribed types of chemistry might access property distributions acceptable for certain goals despite nonadherence to established rules. |
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