Simulations Plus

Simulations Plus, Inc. develops absorption, distribution, metabolism, excretion, and toxicity (ADMET) modeling and simulation software for the pharmaceutical and biotechnology, industrial chemicals, cosmetics, food ingredients, and herbicide industries. In September 2014, the company acquired Cognigen Corporation, a leading provider of clinical trial data analysis and consulting services.

Simulations Plus, Inc.
TypePublic
IndustrySoftware
Founded1996 in Lancaster, California
FounderWalter Woltosz
HeadquartersLancaster, California, U.S.
ProductsSoftware
GastroPlus
ADMET Predictor
MedChem Studio
DDDPlus
MedChem Designer
MembranePlus
Number of employees
>108
Websitesimulations-plus.com

Software programs

The company has produced specific proprietary software products, such as:

  • GastroPlus, a physiologically-based simulation tool that predicts the absorption, pharmacokinetics, pharmacodynamics, and drug-drug interactions for drugs administered through intravenous, oral, ocular, or pulmonary routes. The modeling theory and approach has been discussed in several peer-reviewed publications.[1][2][3][4][5][6][7]
  • ADMET Predictor, 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 articles.[8][9][10]
  • ADMET Modeler, a module of ADMET Predictor that allows scientists to build QSAR models using their own data sets.
  • MedChem Studio, a multi-purpose cheminformatics software tool used for advanced data mining and de novo molecule design.
  • DDDPlus, a software tool for formulation scientists that simulates the in vitro disintegration and dissolution of solid dosage forms under different experimental conditions.
  • MedChem Designer, a chemical sketching tool that combines molecule drawing capabilities with ADMET property predictions.
  • MembranePlus, a software program which simulates the in vitro permeability experiments commonly run in the pharmaceutical industry, including Caco-2, PAMPA, and MDCK cell lines.

As of March 1, 2015, all of the top 20 pharmaceutical companies, along with the U.S. Food and Drug Administration (FDA), the Centers for Disease Control and Prevention (CDC), the National Institutes of Health (NIH), the National Cancer Institute (NCI) and the China Food and Drug Administration (CFDA) license the company's software.

Notes
  1. Grbic S, Parojcic J, Ibric S, Djuric Z. In Vitro-In Vivo Correlation for Gliclazide Immediate-Release Tablets Based on Mechanistic Absorption Simulation. AAPS PharmSciTech. 2010 Dec 23.
  2. 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.
  3. 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.
  4. 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.
  5. Yamazaki S, Skaptason J, Romero D, Vekich S, Jones HM, Tan W, Wilner KD, Koudriakova T. Prediction of Oral Pharmacokinetics of cMet Kinase Inhibitors in Humans: Physiologically Based Pharmacokinetic Model versus Traditional One Compartment Model. Drug Metab Dispos. 2010 Nov 23.
  6. Heimbach T, Lakshminarayana SB, Hu W, He H. Practical anticipation of human efficacious doses and pharmacokinetics using in vitro and preclinical in vivo data. AAPS J. 2009 Sep;11(3):602-14.
  7. 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.
  8. Dearden JC. "In silico prediction of aqueous solubility." Expert Opin. Drug Discov 1(2006): 31-52, 2006.
  9. Tetko IV and Poda GI. "Property-based logP prediction." In: R. Mannhold (ed.), Molecular Drug Properties: Measurement and Prediction, pp. Chapter 15. Weinheim, Germany: Wiley-VCH, 2007.
  10. Mannhold R, Poda GI, Ostermann C, Tetko IV. "Calculation of molecular lipophilicity: State-of-the-art and comparison of log P methods on more than 96,000 compounds." (2008) J. Pharm. Sci. 98(3):861-93.

References
  • "U.S. FDA Licenses GastroPlus(TM)". Business Wire. 9 Jan 2007. Retrieved 2008-08-01.
  • "U.S. EPA Licenses Simulations Plus' ADMET Predictor(TM) Software". Medical News Today. 19 Jun 2008. Retrieved 2008-08-01.
  • "U.S. National Institutes of Health Licenses Simulations Plus' ClassPharmer(TM) Software". bNet. 30 Aug 2007. Retrieved 2008-08-01.
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