179 related articles for article (PubMed ID: 38752574)
1. Machine learning framework to predict pharmacokinetic profile of small molecule drugs based on chemical structure.
Pillai N; Abos A; Teutonico D; Mavroudis PD
Clin Transl Sci; 2024 May; 17(5):e13824. PubMed ID: 38752574
[TBL] [Abstract][Full Text] [Related]
2. Prediction of In Vivo Pharmacokinetic Parameters and Time-Exposure Curves in Rats Using Machine Learning from the Chemical Structure.
Obrezanova O; Martinsson A; Whitehead T; Mahmoud S; Bender A; Miljković F; Grabowski P; Irwin B; Oprisiu I; Conduit G; Segall M; Smith GF; Williamson B; Winiwarter S; Greene N
Mol Pharm; 2022 May; 19(5):1488-1504. PubMed ID: 35412314
[TBL] [Abstract][Full Text] [Related]
3. Another string to your bow: machine learning prediction of the pharmacokinetic properties of small molecules.
Bassani D; Parrott NJ; Manevski N; Zhang JD
Expert Opin Drug Discov; 2024 Jun; 19(6):683-698. PubMed ID: 38727016
[TBL] [Abstract][Full Text] [Related]
4. Model-based Target Pharmacology Assessment (mTPA): An Approach Using PBPK/PD Modeling and Machine Learning to Design Medicinal Chemistry and DMPK Strategies in Early Drug Discovery.
Chen EP; Bondi RW; Michalski PJ
J Med Chem; 2021 Mar; 64(6):3185-3196. PubMed ID: 33719432
[TBL] [Abstract][Full Text] [Related]
5. Exploratory population pharmacokinetics (e-PPK) analysis for predicting human PK using exploratory ADME data during early drug discovery research.
Tabata K; Hamakawa N; Sanoh S; Terashita S; Teramura T
Eur J Drug Metab Pharmacokinet; 2009; 34(2):117-28. PubMed ID: 19645221
[TBL] [Abstract][Full Text] [Related]
6. PhRMA CPCDC initiative on predictive models of human pharmacokinetics, part 4: prediction of plasma concentration-time profiles in human from in vivo preclinical data by using the Wajima approach.
Vuppugalla R; Marathe P; He H; Jones RD; Yates JW; Jones HM; Gibson CR; Chien JY; Ring BJ; Adkison KK; Ku MS; Fischer V; Dutta S; Sinha VK; Björnsson T; Lavé T; Poulin P
J Pharm Sci; 2011 Oct; 100(10):4111-26. PubMed ID: 21480234
[TBL] [Abstract][Full Text] [Related]
7. Development and application of physiologically based pharmacokinetic-modeling tools to support drug discovery.
Lüpfert C; Reichel A
Chem Biodivers; 2005 Nov; 2(11):1462-86. PubMed ID: 17191947
[TBL] [Abstract][Full Text] [Related]
8. An algorithm for evaluating potential tissue drug distribution in toxicology studies from readily available pharmacokinetic parameters.
Poulin P; Dambach DM; Hartley DH; Ford K; Theil FP; Harstad E; Halladay J; Choo E; Boggs J; Liederer BM; Dean B; Diaz D
J Pharm Sci; 2013 Oct; 102(10):3816-29. PubMed ID: 23878104
[TBL] [Abstract][Full Text] [Related]
9. Preclinical pharmacokinetics: an approach towards safer and efficacious drugs.
Singh SS
Curr Drug Metab; 2006 Feb; 7(2):165-82. PubMed ID: 16472106
[TBL] [Abstract][Full Text] [Related]
10. Can We Predict Clinical Pharmacokinetics of Highly Lipophilic Compounds by Integration of Machine Learning or In Vitro Data into Physiologically Based Models? A Feasibility Study Based on 12 Development Compounds.
Parrott N; Manevski N; Olivares-Morales A
Mol Pharm; 2022 Nov; 19(11):3858-3868. PubMed ID: 36150125
[TBL] [Abstract][Full Text] [Related]
11. Prediction of human oral plasma concentration-time profiles using preclinical data: comparative evaluation of prediction approaches in early pharmaceutical discovery.
Van den Bergh A; Sinha V; Gilissen R; Straetemans R; Wuyts K; Morrison D; Bijnens L; Mackie C
Clin Pharmacokinet; 2011 Aug; 50(8):505-17. PubMed ID: 21740074
[TBL] [Abstract][Full Text] [Related]
12. Evaluation of the Success of High-Throughput Physiologically Based Pharmacokinetic (HT-PBPK) Modeling Predictions to Inform Early Drug Discovery.
Naga D; Parrott N; Ecker GF; Olivares-Morales A
Mol Pharm; 2022 Jul; 19(7):2203-2216. PubMed ID: 35476457
[TBL] [Abstract][Full Text] [Related]
13. The Comparison of Machine Learning and Mechanistic In Vitro-In Vivo Extrapolation Models for the Prediction of Human Intrinsic Clearance.
Keefer CE; Chang G; Di L; Woody NA; Tess DA; Osgood SM; Kapinos B; Racich J; Carlo AA; Balesano A; Ferguson N; Orozco C; Zueva L; Luo L
Mol Pharm; 2023 Nov; 20(11):5616-5630. PubMed ID: 37812508
[TBL] [Abstract][Full Text] [Related]
14. Pharmacokinetic properties and in silico ADME modeling in drug discovery.
Honório KM; Moda TL; Andricopulo AD
Med Chem; 2013 Mar; 9(2):163-76. PubMed ID: 23016542
[TBL] [Abstract][Full Text] [Related]
15. Estimating human ADME properties, pharmacokinetic parameters and likely clinical dose in drug discovery.
Lucas AJ; Sproston JL; Barton P; Riley RJ
Expert Opin Drug Discov; 2019 Dec; 14(12):1313-1327. PubMed ID: 31538500
[No Abstract] [Full Text] [Related]
16. PHRMA CPCDC initiative on predictive models of human pharmacokinetics, part 5: prediction of plasma concentration-time profiles in human by using the physiologically-based pharmacokinetic modeling approach.
Poulin P; Jones RD; Jones HM; Gibson CR; Rowland M; Chien JY; Ring BJ; Adkison KK; Ku MS; He H; Vuppugalla R; Marathe P; Fischer V; Dutta S; Sinha VK; Björnsson T; Lavé T; Yates JW
J Pharm Sci; 2011 Oct; 100(10):4127-57. PubMed ID: 21541937
[TBL] [Abstract][Full Text] [Related]
17. PhRMA CPCDC initiative on predictive models of human pharmacokinetics, part 1: goals, properties of the PhRMA dataset, and comparison with literature datasets.
Poulin P; Jones HM; Jones RD; Yates JW; Gibson CR; Chien JY; Ring BJ; Adkison KK; He H; Vuppugalla R; Marathe P; Fischer V; Dutta S; Sinha VK; Björnsson T; Lavé T; Ku MS
J Pharm Sci; 2011 Oct; 100(10):4050-73. PubMed ID: 21523782
[TBL] [Abstract][Full Text] [Related]
18. PhRMA CPCDC initiative on predictive models of human pharmacokinetics, part 2: comparative assessment of prediction methods of human volume of distribution.
Jones RD; Jones HM; Rowland M; Gibson CR; Yates JW; Chien JY; Ring BJ; Adkison KK; Ku MS; He H; Vuppugalla R; Marathe P; Fischer V; Dutta S; Sinha VK; Björnsson T; Lavé T; Poulin P
J Pharm Sci; 2011 Oct; 100(10):4074-89. PubMed ID: 21452299
[TBL] [Abstract][Full Text] [Related]
19. In vivo rat PK profiling in drug discovery: new challenges.
Zonzini L; Bianchi F; Cesari N; Sartori M
Expert Opin Drug Discov; 2010 Nov; 5(11):1031-7. PubMed ID: 22827743
[TBL] [Abstract][Full Text] [Related]
20. Mechanistic pharmacokinetic modeling for the prediction of transporter-mediated disposition in humans from sandwich culture human hepatocyte data.
Jones HM; Barton HA; Lai Y; Bi YA; Kimoto E; Kempshall S; Tate SC; El-Kattan A; Houston JB; Galetin A; Fenner KS
Drug Metab Dispos; 2012 May; 40(5):1007-17. PubMed ID: 22344703
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]