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retrograde method (a built-in feature of simcyp)  (Simcyp)

 
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    Structured Review

    Simcyp retrograde method (a built-in feature of simcyp)
    Retrograde Method (A Built In Feature Of Simcyp), supplied by Simcyp, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/simcyp+built-in+method/retrograde+method/pm34196005-51-32-38
    Average 90 stars, based on 1 article reviews
    retrograde method (a built-in feature of simcyp) - by Bioz Stars, 2026-10
    90/100 stars

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    Related Articles

    Binding Assay:

    Article Title: Physiologically‐Based Pharmacokinetic Modeling for the Prediction of a Drug–Drug Interaction of Combined Effects on P‐glycoprotein and Cytochrome P450 3A
    Article Snippet: Parameters Initial Optimized Population Sim-Healthy Volunteers Sim-Healthy Volunteers Minimum Age (years) 24 24 Maximum Age (years) 53 53 Proportion of females 0 0 fa 1 1 fg 0.9 0.9 fCLBile(%) 7 7 CLadd (L/h) 1.243 0 %HEPCL CYP3A4 37% 61% %HEPCL CYP2J2 29% 5% fa: fraction absorbed from gut, fg: fraction escaping the metabolism in enterocyte, fCLBile: fraction of biliary clearance on overall clearance, CLadd: additional systemic clearance, %HEPCL: percentage in hepatic clearance Table S2-4 Input parameters of the rivaroxaban PBPK model Sample parameter Value Assumption(s) and references Physicochemical properties and blood binding Compound type Neutral 5 Molecular weight 435.88 5 Log P 1.5 5 B/P ratio 0.71 5 fu 0.065 5 Plasma binding protein HSA 5 Absorption Absorption model ADAM fu,Gut 0.209 Calculated with Simcyp built-in method Papp (10–6 cm/s) LLC-PK1 passive permeability Scalar 25.8 1 13 Assumed Peff,man (10-4 cm/s) 3.184 Calculated with Simcyp built-in method Formulation Solid formulation Intrinsic solubility (mg/mL) 0.013 Predicted with SIVA.

    Molecular Weight:

    Article Title: Physiologically‐Based Pharmacokinetic Modeling for the Prediction of a Drug–Drug Interaction of Combined Effects on P‐glycoprotein and Cytochrome P450 3A
    Article Snippet: Parameters Initial Optimized Population Sim-Healthy Volunteers Sim-Healthy Volunteers Minimum Age (years) 24 24 Maximum Age (years) 53 53 Proportion of females 0 0 fa 1 1 fg 0.9 0.9 fCLBile(%) 7 7 CLadd (L/h) 1.243 0 %HEPCL CYP3A4 37% 61% %HEPCL CYP2J2 29% 5% fa: fraction absorbed from gut, fg: fraction escaping the metabolism in enterocyte, fCLBile: fraction of biliary clearance on overall clearance, CLadd: additional systemic clearance, %HEPCL: percentage in hepatic clearance Table S2-4 Input parameters of the rivaroxaban PBPK model Sample parameter Value Assumption(s) and references Physicochemical properties and blood binding Compound type Neutral 5 Molecular weight 435.88 5 Log P 1.5 5 B/P ratio 0.71 5 fu 0.065 5 Plasma binding protein HSA 5 Absorption Absorption model ADAM fu,Gut 0.209 Calculated with Simcyp built-in method Papp (10–6 cm/s) LLC-PK1 passive permeability Scalar 25.8 1 13 Assumed Peff,man (10-4 cm/s) 3.184 Calculated with Simcyp built-in method Formulation Solid formulation Intrinsic solubility (mg/mL) 0.013 Predicted with SIVA.

    Clinical Proteomics:

    Article Title: Physiologically‐Based Pharmacokinetic Modeling for the Prediction of a Drug–Drug Interaction of Combined Effects on P‐glycoprotein and Cytochrome P450 3A
    Article Snippet: Parameters Initial Optimized Population Sim-Healthy Volunteers Sim-Healthy Volunteers Minimum Age (years) 24 24 Maximum Age (years) 53 53 Proportion of females 0 0 fa 1 1 fg 0.9 0.9 fCLBile(%) 7 7 CLadd (L/h) 1.243 0 %HEPCL CYP3A4 37% 61% %HEPCL CYP2J2 29% 5% fa: fraction absorbed from gut, fg: fraction escaping the metabolism in enterocyte, fCLBile: fraction of biliary clearance on overall clearance, CLadd: additional systemic clearance, %HEPCL: percentage in hepatic clearance Table S2-4 Input parameters of the rivaroxaban PBPK model Sample parameter Value Assumption(s) and references Physicochemical properties and blood binding Compound type Neutral 5 Molecular weight 435.88 5 Log P 1.5 5 B/P ratio 0.71 5 fu 0.065 5 Plasma binding protein HSA 5 Absorption Absorption model ADAM fu,Gut 0.209 Calculated with Simcyp built-in method Papp (10–6 cm/s) LLC-PK1 passive permeability Scalar 25.8 1 13 Assumed Peff,man (10-4 cm/s) 3.184 Calculated with Simcyp built-in method Formulation Solid formulation Intrinsic solubility (mg/mL) 0.013 Predicted with SIVA.

    Permeability:

    Article Title: Physiologically‐Based Pharmacokinetic Modeling for the Prediction of a Drug–Drug Interaction of Combined Effects on P‐glycoprotein and Cytochrome P450 3A
    Article Snippet: Parameters Initial Optimized Population Sim-Healthy Volunteers Sim-Healthy Volunteers Minimum Age (years) 24 24 Maximum Age (years) 53 53 Proportion of females 0 0 fa 1 1 fg 0.9 0.9 fCLBile(%) 7 7 CLadd (L/h) 1.243 0 %HEPCL CYP3A4 37% 61% %HEPCL CYP2J2 29% 5% fa: fraction absorbed from gut, fg: fraction escaping the metabolism in enterocyte, fCLBile: fraction of biliary clearance on overall clearance, CLadd: additional systemic clearance, %HEPCL: percentage in hepatic clearance Table S2-4 Input parameters of the rivaroxaban PBPK model Sample parameter Value Assumption(s) and references Physicochemical properties and blood binding Compound type Neutral 5 Molecular weight 435.88 5 Log P 1.5 5 B/P ratio 0.71 5 fu 0.065 5 Plasma binding protein HSA 5 Absorption Absorption model ADAM fu,Gut 0.209 Calculated with Simcyp built-in method Papp (10–6 cm/s) LLC-PK1 passive permeability Scalar 25.8 1 13 Assumed Peff,man (10-4 cm/s) 3.184 Calculated with Simcyp built-in method Formulation Solid formulation Intrinsic solubility (mg/mL) 0.013 Predicted with SIVA.

    Formulation:

    Article Title: Physiologically‐Based Pharmacokinetic Modeling for the Prediction of a Drug–Drug Interaction of Combined Effects on P‐glycoprotein and Cytochrome P450 3A
    Article Snippet: Parameters Initial Optimized Population Sim-Healthy Volunteers Sim-Healthy Volunteers Minimum Age (years) 24 24 Maximum Age (years) 53 53 Proportion of females 0 0 fa 1 1 fg 0.9 0.9 fCLBile(%) 7 7 CLadd (L/h) 1.243 0 %HEPCL CYP3A4 37% 61% %HEPCL CYP2J2 29% 5% fa: fraction absorbed from gut, fg: fraction escaping the metabolism in enterocyte, fCLBile: fraction of biliary clearance on overall clearance, CLadd: additional systemic clearance, %HEPCL: percentage in hepatic clearance Table S2-4 Input parameters of the rivaroxaban PBPK model Sample parameter Value Assumption(s) and references Physicochemical properties and blood binding Compound type Neutral 5 Molecular weight 435.88 5 Log P 1.5 5 B/P ratio 0.71 5 fu 0.065 5 Plasma binding protein HSA 5 Absorption Absorption model ADAM fu,Gut 0.209 Calculated with Simcyp built-in method Papp (10–6 cm/s) LLC-PK1 passive permeability Scalar 25.8 1 13 Assumed Peff,man (10-4 cm/s) 3.184 Calculated with Simcyp built-in method Formulation Solid formulation Intrinsic solubility (mg/mL) 0.013 Predicted with SIVA.

    Solubility:

    Article Title: Physiologically‐Based Pharmacokinetic Modeling for the Prediction of a Drug–Drug Interaction of Combined Effects on P‐glycoprotein and Cytochrome P450 3A
    Article Snippet: Parameters Initial Optimized Population Sim-Healthy Volunteers Sim-Healthy Volunteers Minimum Age (years) 24 24 Maximum Age (years) 53 53 Proportion of females 0 0 fa 1 1 fg 0.9 0.9 fCLBile(%) 7 7 CLadd (L/h) 1.243 0 %HEPCL CYP3A4 37% 61% %HEPCL CYP2J2 29% 5% fa: fraction absorbed from gut, fg: fraction escaping the metabolism in enterocyte, fCLBile: fraction of biliary clearance on overall clearance, CLadd: additional systemic clearance, %HEPCL: percentage in hepatic clearance Table S2-4 Input parameters of the rivaroxaban PBPK model Sample parameter Value Assumption(s) and references Physicochemical properties and blood binding Compound type Neutral 5 Molecular weight 435.88 5 Log P 1.5 5 B/P ratio 0.71 5 fu 0.065 5 Plasma binding protein HSA 5 Absorption Absorption model ADAM fu,Gut 0.209 Calculated with Simcyp built-in method Papp (10–6 cm/s) LLC-PK1 passive permeability Scalar 25.8 1 13 Assumed Peff,man (10-4 cm/s) 3.184 Calculated with Simcyp built-in method Formulation Solid formulation Intrinsic solubility (mg/mL) 0.013 Predicted with SIVA.



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