Simulations Plus, Inc. develops absorption, distribution, metabolism, excretion, and toxicity (ADMET) modeling and simulation software for the pharmaceutical and biotechnology industries.
Software programs
The company has produced specific proprietary software products, such as:
- GastroPlusTM, a physiologically-based simulation tool that predicts the absorption, pharmacokinetics, and pharmacodynamics for drugs administered intravenously or orally. The modeling theory and approach has been discussed in several peer-reviewed publications1234567.
- ADMET PredictorTM a modeling program that enables pharmaceutical researchers to estimate ADMET properties from chemical structure. The performance of the models have been assessed in several peer-reviewed articles89.
- ClassPharmerTM, a multi-purpose cheminformatics software tool used for screening data analysis.
- DDDPlusTM, a software tool for formulation scientists that simulates the in vitro disintegration and dissolution of solid dosage forms under different experimental conditions.
As of August 3, 2008, 18 of the top 20 pharmaceutical companies, along with the U.S. Food and Drug Administration (FDA), the U.S. Environmental Protection Agency (EPA), and the National Institutes of Health (NIH), license the company's software.
References
- ^ Dannenfelser RM, He H, Joshi Y, Bateman S, Serajuddin AT. Development of clinical dosage forms for a poorly water soluble drug I: Application of polyethylene glycol-polysorbate 80 solid dispersion carrier system. J Pharm Sci. 2004 May;93(5):1165-75.
- ^ Kuentz M, Nick S, Parrott N, Röthlisberger D. A strategy for preclinical formulation development using GastroPlus as pharmacokinetic simulation tool and a statistical screening design applied to a dog study. Eur J Pharm Sci. 2006 Jan;27(1):91-9.
- ^ De Buck SS, Sinha VK, Fenu LA, Nijsen MJ, Mackie CE, Gilissen RA. Prediction of human pharmacokinetics using physiologically based modeling: a retrospective analysis of 26 clinically tested drugs. Drug Metab Dispos. 2007 Oct;35(10):1766-80.
- ^ Tubic-Grozdanis M, Bolger MB, Langguth P. Application of gastrointestinal simulation for extensions for biowaivers of highly permeable compounds. AAPS J. 2008;10(1):213-26.
- ^ Brandl M, Wu X, Holper M, Hong L, Jia Z, Birudaraj R, Reddy M, Alfredson T, Tran T, Larrabee S, Hadig X, Sarma K, Washington C, Hill G, Smith DB. Physicochemical properties of the nucleoside prodrug r1626 leading to high oral bioavailability. Drug Dev Ind Pharm. 2008 Jul;34(7):683-91.
- ^ Okumu A, Dimaso M, Löbenberg R. Dynamic Dissolution Testing To Establish In Vitro/In Vivo Correlations for Montelukast Sodium, a Poorly Soluble Drug. Pharm Res. 2008 Jun 17.
- ^ Allan G, Davis J, Dickins M, Gardner I, Jenkins T, Jones H, Webster R, Westgate H. Pre-clinical pharmacokinetics of UK-453,061, a novel non-nucleoside reverse transcriptase inhibitor (NNRTI), and use of in silico physiologically based prediction tools to predict the oral pharmacokinetics of UK-453,061 in man. Xenobiotica. 2008 Jun;38(6):620-40.
- ^ Dearden, J.C.. "In silico prediction of aqueous solubility." Expert Opin. Drug Discov 1(2006): 31-52, 2006.
- ^ Tetko, I. V. and Poda, G. I. "Property-based logP prediction." In: R. Mannhold (ed.), Molecular Drug Properties: Measurement and Prediction, pp. Chapter 15. Weinheim, Germany: Wiley-VCH, 2007.
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