9/23/2023 0 Comments Volume of distributionThe algorithm uses our top-rated Advanced Compartmental Absorption and Transit (ACAT™) model from GastroPlus to simulate dissolution, transit, and absorption in the GI tract. The algorithm uses our top-rated Advanced Compartmental Absorption and Transit (ACAT™) model These compounds have lower predicted solubility at pH 7.4 than the other compounds in the data set. The fraction absorbed values for digoxin L, cimetidine, and carbamazepine decrease with increasing dose. Atenolol and losartan have lower %Fa values.Īside from digoxin L, these two compounds have the lowest predicted human jejunal permeability (S+Peff) that limits their absorption. Half of the drugs have a high fraction absorbed (>99%). The spreadsheet is sorted in increasing order based on %Fa for a 1 mg dose. The table on the left shows %Fa predictions for ten drugs at 1, 10, 100, and 1000 mg doses. All calculation and optimization routines have been engineered for maximum computing performance, with capabilities to perform time-dependent mechanistic PK simulations at the rate of over 100 compounds per second! It is also possible for optimal dose estimates to be quickly estimated within the virtual rat or human PBPK models and factor into compound prioritization decisions at the discovery stage.
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