Approaches to Modeling Enzymes, Transporters, Channels, and Receptors

APPROACHES TO MODELING ENZYMES, TRANSPORTERS, CHANNELS, AND RECEPTORS 

Some in silico studies have generated additional general rules comparable to Lipinski s rule of 5 or they have resulted in the development of triage filters from large commercially available databases (CMC, MDDR, WDI, etc.) or from internal company data useful for predicting solubility and absorption potential.A simple rule for rat bioavailability, for example, was 

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