simcyp® simulator compounds library Search Results


simcyp simulator  (Simcyp)
86
Simcyp simcyp simulator
Simcyp Simulator, supplied by Simcyp, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/simcyp simulator/product/Simcyp
Average 86 stars, based on 1 article reviews
simcyp simulator - by Bioz Stars, 2026-06
86/100 stars
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cardiac safety simulator calculations cardiac safety simulator css version 2 2  (Certara L.P)
86
Certara L.P cardiac safety simulator calculations cardiac safety simulator css version 2 2
Cardiac Safety Simulator Calculations Cardiac Safety Simulator Css Version 2 2, supplied by Certara L.P, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/cardiac safety simulator calculations cardiac safety simulator css version 2 2/product/Certara L.P
Average 86 stars, based on 1 article reviews
cardiac safety simulator calculations cardiac safety simulator css version 2 2 - by Bioz Stars, 2026-06
86/100 stars
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simcyp population based adme simulator  (Simcyp)
86
Simcyp simcyp population based adme simulator
Simcyp Population Based Adme Simulator, supplied by Simcyp, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/simcyp population based adme simulator/product/Simcyp
Average 86 stars, based on 1 article reviews
simcyp population based adme simulator - by Bioz Stars, 2026-06
86/100 stars
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pbpk simulator version 21  (Certara L.P)
86
Certara L.P pbpk simulator version 21
Workflow for developing the escitalopram <t>PBPK</t> model. Upward arrows denote an increase, and downward arrows denote a decrease. Abbreviations: M.W., molecular weight; LogP, logarithm of octanol/water partition coefficient; pK a , negative logarithm of acid dissociation constant; B/P, blood-to-plasma ratio; fa, fraction absorbed; k a , absorption rate constant; f u,gut , fraction unbound in gut enterocytes; Q gut , Hybrid parameter representing drug absorption rate from the gut lumen, removal of drug from the enterocyte by enterocytic blood supply, and enterocyte volume; Vss, steady-state volume of distribution; K p scalar, tissue-to-plasma partition coefficient scalar; CL int , intrinsic clearance; CYP, cytochrome P450; GFR, glomerular filtration rate; NM, normal metabolizer; PM, poor metabolizer; CL PDM , Maternal-placental barrier clearance; CL PDF , placental-fetal barrier clearance.
Pbpk Simulator Version 21, supplied by Certara L.P, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/pbpk simulator version 21/product/Certara L.P
Average 86 stars, based on 1 article reviews
pbpk simulator version 21 - by Bioz Stars, 2026-06
86/100 stars
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simcypw simulator  (Biopharm GmbH)
90
Biopharm GmbH simcypw simulator
Workflow for developing the escitalopram <t>PBPK</t> model. Upward arrows denote an increase, and downward arrows denote a decrease. Abbreviations: M.W., molecular weight; LogP, logarithm of octanol/water partition coefficient; pK a , negative logarithm of acid dissociation constant; B/P, blood-to-plasma ratio; fa, fraction absorbed; k a , absorption rate constant; f u,gut , fraction unbound in gut enterocytes; Q gut , Hybrid parameter representing drug absorption rate from the gut lumen, removal of drug from the enterocyte by enterocytic blood supply, and enterocyte volume; Vss, steady-state volume of distribution; K p scalar, tissue-to-plasma partition coefficient scalar; CL int , intrinsic clearance; CYP, cytochrome P450; GFR, glomerular filtration rate; NM, normal metabolizer; PM, poor metabolizer; CL PDM , Maternal-placental barrier clearance; CL PDF , placental-fetal barrier clearance.
Simcypw Simulator, supplied by Biopharm GmbH, 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/result/simcypw simulator/product/Biopharm GmbH
Average 90 stars, based on 1 article reviews
simcypw simulator - by Bioz Stars, 2026-06
90/100 stars
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io si mulator  (VRmagic GmbH)
90
VRmagic GmbH io si mulator
Workflow for developing the escitalopram <t>PBPK</t> model. Upward arrows denote an increase, and downward arrows denote a decrease. Abbreviations: M.W., molecular weight; LogP, logarithm of octanol/water partition coefficient; pK a , negative logarithm of acid dissociation constant; B/P, blood-to-plasma ratio; fa, fraction absorbed; k a , absorption rate constant; f u,gut , fraction unbound in gut enterocytes; Q gut , Hybrid parameter representing drug absorption rate from the gut lumen, removal of drug from the enterocyte by enterocytic blood supply, and enterocyte volume; Vss, steady-state volume of distribution; K p scalar, tissue-to-plasma partition coefficient scalar; CL int , intrinsic clearance; CYP, cytochrome P450; GFR, glomerular filtration rate; NM, normal metabolizer; PM, poor metabolizer; CL PDM , Maternal-placental barrier clearance; CL PDF , placental-fetal barrier clearance.
Io Si Mulator, supplied by VRmagic GmbH, 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/result/io si mulator/product/VRmagic GmbH
Average 90 stars, based on 1 article reviews
io si mulator - by Bioz Stars, 2026-06
90/100 stars
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simulx 2021r1  (SAS institute)
90
SAS institute simulx 2021r1
Workflow for developing the escitalopram <t>PBPK</t> model. Upward arrows denote an increase, and downward arrows denote a decrease. Abbreviations: M.W., molecular weight; LogP, logarithm of octanol/water partition coefficient; pK a , negative logarithm of acid dissociation constant; B/P, blood-to-plasma ratio; fa, fraction absorbed; k a , absorption rate constant; f u,gut , fraction unbound in gut enterocytes; Q gut , Hybrid parameter representing drug absorption rate from the gut lumen, removal of drug from the enterocyte by enterocytic blood supply, and enterocyte volume; Vss, steady-state volume of distribution; K p scalar, tissue-to-plasma partition coefficient scalar; CL int , intrinsic clearance; CYP, cytochrome P450; GFR, glomerular filtration rate; NM, normal metabolizer; PM, poor metabolizer; CL PDM , Maternal-placental barrier clearance; CL PDF , placental-fetal barrier clearance.
Simulx 2021r1, supplied by SAS institute, 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/result/simulx 2021r1/product/SAS institute
Average 90 stars, based on 1 article reviews
simulx 2021r1 - by Bioz Stars, 2026-06
90/100 stars
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simulx 2024r1  (SAS institute)
90
SAS institute simulx 2024r1
Workflow for developing the escitalopram <t>PBPK</t> model. Upward arrows denote an increase, and downward arrows denote a decrease. Abbreviations: M.W., molecular weight; LogP, logarithm of octanol/water partition coefficient; pK a , negative logarithm of acid dissociation constant; B/P, blood-to-plasma ratio; fa, fraction absorbed; k a , absorption rate constant; f u,gut , fraction unbound in gut enterocytes; Q gut , Hybrid parameter representing drug absorption rate from the gut lumen, removal of drug from the enterocyte by enterocytic blood supply, and enterocyte volume; Vss, steady-state volume of distribution; K p scalar, tissue-to-plasma partition coefficient scalar; CL int , intrinsic clearance; CYP, cytochrome P450; GFR, glomerular filtration rate; NM, normal metabolizer; PM, poor metabolizer; CL PDM , Maternal-placental barrier clearance; CL PDF , placental-fetal barrier clearance.
Simulx 2024r1, supplied by SAS institute, 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/result/simulx 2024r1/product/SAS institute
Average 90 stars, based on 1 article reviews
simulx 2024r1 - by Bioz Stars, 2026-06
90/100 stars
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molecular dynamics simula tion  (Molecular Dynamics Inc)
86
Molecular Dynamics Inc molecular dynamics simula tion
Workflow for developing the escitalopram <t>PBPK</t> model. Upward arrows denote an increase, and downward arrows denote a decrease. Abbreviations: M.W., molecular weight; LogP, logarithm of octanol/water partition coefficient; pK a , negative logarithm of acid dissociation constant; B/P, blood-to-plasma ratio; fa, fraction absorbed; k a , absorption rate constant; f u,gut , fraction unbound in gut enterocytes; Q gut , Hybrid parameter representing drug absorption rate from the gut lumen, removal of drug from the enterocyte by enterocytic blood supply, and enterocyte volume; Vss, steady-state volume of distribution; K p scalar, tissue-to-plasma partition coefficient scalar; CL int , intrinsic clearance; CYP, cytochrome P450; GFR, glomerular filtration rate; NM, normal metabolizer; PM, poor metabolizer; CL PDM , Maternal-placental barrier clearance; CL PDF , placental-fetal barrier clearance.
Molecular Dynamics Simula Tion, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/molecular dynamics simula tion/product/Molecular Dynamics Inc
Average 86 stars, based on 1 article reviews
molecular dynamics simula tion - by Bioz Stars, 2026-06
86/100 stars
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simulation software  (Dassault Systemes)
86
Dassault Systemes simulation software
Workflow for developing the escitalopram <t>PBPK</t> model. Upward arrows denote an increase, and downward arrows denote a decrease. Abbreviations: M.W., molecular weight; LogP, logarithm of octanol/water partition coefficient; pK a , negative logarithm of acid dissociation constant; B/P, blood-to-plasma ratio; fa, fraction absorbed; k a , absorption rate constant; f u,gut , fraction unbound in gut enterocytes; Q gut , Hybrid parameter representing drug absorption rate from the gut lumen, removal of drug from the enterocyte by enterocytic blood supply, and enterocyte volume; Vss, steady-state volume of distribution; K p scalar, tissue-to-plasma partition coefficient scalar; CL int , intrinsic clearance; CYP, cytochrome P450; GFR, glomerular filtration rate; NM, normal metabolizer; PM, poor metabolizer; CL PDM , Maternal-placental barrier clearance; CL PDF , placental-fetal barrier clearance.
Simulation Software, supplied by Dassault Systemes, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/simulation software/product/Dassault Systemes
Average 86 stars, based on 1 article reviews
simulation software - by Bioz Stars, 2026-06
86/100 stars
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simulx package  (RStudio)
90
RStudio simulx package
Workflow for developing the escitalopram <t>PBPK</t> model. Upward arrows denote an increase, and downward arrows denote a decrease. Abbreviations: M.W., molecular weight; LogP, logarithm of octanol/water partition coefficient; pK a , negative logarithm of acid dissociation constant; B/P, blood-to-plasma ratio; fa, fraction absorbed; k a , absorption rate constant; f u,gut , fraction unbound in gut enterocytes; Q gut , Hybrid parameter representing drug absorption rate from the gut lumen, removal of drug from the enterocyte by enterocytic blood supply, and enterocyte volume; Vss, steady-state volume of distribution; K p scalar, tissue-to-plasma partition coefficient scalar; CL int , intrinsic clearance; CYP, cytochrome P450; GFR, glomerular filtration rate; NM, normal metabolizer; PM, poor metabolizer; CL PDM , Maternal-placental barrier clearance; CL PDF , placental-fetal barrier clearance.
Simulx Package, supplied by RStudio, 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/result/simulx package/product/RStudio
Average 90 stars, based on 1 article reviews
simulx package - by Bioz Stars, 2026-06
90/100 stars
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w molecular dynamics simula 13 tions  (Molecular Dynamics Inc)
86
Molecular Dynamics Inc w molecular dynamics simula 13 tions
Workflow for developing the escitalopram <t>PBPK</t> model. Upward arrows denote an increase, and downward arrows denote a decrease. Abbreviations: M.W., molecular weight; LogP, logarithm of octanol/water partition coefficient; pK a , negative logarithm of acid dissociation constant; B/P, blood-to-plasma ratio; fa, fraction absorbed; k a , absorption rate constant; f u,gut , fraction unbound in gut enterocytes; Q gut , Hybrid parameter representing drug absorption rate from the gut lumen, removal of drug from the enterocyte by enterocytic blood supply, and enterocyte volume; Vss, steady-state volume of distribution; K p scalar, tissue-to-plasma partition coefficient scalar; CL int , intrinsic clearance; CYP, cytochrome P450; GFR, glomerular filtration rate; NM, normal metabolizer; PM, poor metabolizer; CL PDM , Maternal-placental barrier clearance; CL PDF , placental-fetal barrier clearance.
W Molecular Dynamics Simula 13 Tions, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/w molecular dynamics simula 13 tions/product/Molecular Dynamics Inc
Average 86 stars, based on 1 article reviews
w molecular dynamics simula 13 tions - by Bioz Stars, 2026-06
86/100 stars
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Image Search Results


Workflow for developing the escitalopram PBPK model. Upward arrows denote an increase, and downward arrows denote a decrease. Abbreviations: M.W., molecular weight; LogP, logarithm of octanol/water partition coefficient; pK a , negative logarithm of acid dissociation constant; B/P, blood-to-plasma ratio; fa, fraction absorbed; k a , absorption rate constant; f u,gut , fraction unbound in gut enterocytes; Q gut , Hybrid parameter representing drug absorption rate from the gut lumen, removal of drug from the enterocyte by enterocytic blood supply, and enterocyte volume; Vss, steady-state volume of distribution; K p scalar, tissue-to-plasma partition coefficient scalar; CL int , intrinsic clearance; CYP, cytochrome P450; GFR, glomerular filtration rate; NM, normal metabolizer; PM, poor metabolizer; CL PDM , Maternal-placental barrier clearance; CL PDF , placental-fetal barrier clearance.

Journal: Pharmaceutics

Article Title: Escitalopram Dose Optimization During Pregnancy: A PBPK Modeling Approach

doi: 10.3390/pharmaceutics17101341

Figure Lengend Snippet: Workflow for developing the escitalopram PBPK model. Upward arrows denote an increase, and downward arrows denote a decrease. Abbreviations: M.W., molecular weight; LogP, logarithm of octanol/water partition coefficient; pK a , negative logarithm of acid dissociation constant; B/P, blood-to-plasma ratio; fa, fraction absorbed; k a , absorption rate constant; f u,gut , fraction unbound in gut enterocytes; Q gut , Hybrid parameter representing drug absorption rate from the gut lumen, removal of drug from the enterocyte by enterocytic blood supply, and enterocyte volume; Vss, steady-state volume of distribution; K p scalar, tissue-to-plasma partition coefficient scalar; CL int , intrinsic clearance; CYP, cytochrome P450; GFR, glomerular filtration rate; NM, normal metabolizer; PM, poor metabolizer; CL PDM , Maternal-placental barrier clearance; CL PDF , placental-fetal barrier clearance.

Article Snippet: The PBPK model of escitalopram was developed using Simcyp ® PBPK simulator version 21 (Certara, Princeton, NJ, USA) to simulate pharmacokinetics in nonpregnant women, pregnant women, and the fetoplacental unit. shows the overall workflow.

Techniques: Molecular Weight, Clinical Proteomics, Filtration