Simulations Plus
Encyclopedia
Simulations Plus, Inc. develops absorption, distribution, metabolism, excretion, and toxicity (ADMET) modeling and simulation software for the pharmaceutical and biotechnology industries. Its wholly owned subsidiary, Words+, Inc., produces computer software and specialized hardware for use by persons with disabilities.

Software programs

The company has produced specific proprietary software products, such as:
  • GastroPlusTM, a physiologically-based simulation tool that predicts the absorption
    Absorption (Pharmacokinetics)
    In pharmacology , absorption is the movement of a drug into the bloodstream.Absorption involves several phases...

    , pharmacokinetics
    Pharmacokinetics
    Pharmacokinetics, sometimes abbreviated as PK, is a branch of pharmacology dedicated to the determination of the fate of substances administered externally to a living organism...

    , pharmacodynamics
    Pharmacodynamics
    Pharmacodynamics is the study of the biochemical and physiological effects of drugs on the body or on microorganisms or parasites within or on the body and the mechanisms of drug action and the relationship between drug concentration and effect...

    , and drug-drug interactions
    Drug interaction
    A drug interaction is a situation in which a substance affects the activity of a drug, i.e. the effects are increased or decreased, or they produce a new effect that neither produces on its own. Typically, interaction between drugs come to mind...

     for drugs administered through intravenous, oral, ocular, or pulmonary routes. The modeling theory and approach has been discussed in several peer-reviewed publications.

  • 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 articles.

  • ADMET ModelerTM, a module of ADMET PredictorTM that allows scientists to build QSAR
    Quantitative structure-activity relationship
    Quantitative structure–activity relationship or QSPR is the process by which chemical structure is quantitatively correlated with a well defined process, such as biological activity or chemical reactivity.For example, biological activity can be expressed quantitatively as the concentration of a...

     models using their own data sets.

  • MedChem StudioTM, a multi-purpose cheminformatics
    Cheminformatics
    Cheminformatics is the use of computer and informational techniques, applied to a range of problems in the field of chemistry. These in silico techniques are used in pharmaceutical companies in the process of drug discovery...

     software tool used for advanced data mining and de novo molecule design.

  • DDDPlusTM, a software tool for formulation scientists that simulates the in vitro disintegration and dissolution
    Dissolution (chemistry)
    Dissolution is the process by which a solid, liquid or gas forms a solution in a solvent. In solids this can be explained as the breakdown of the crystal lattice into individual ions, atoms or molecules and their transport into the solvent. For liquids and gases, the molecules must be compatible...

     of solid dosage forms under different experimental conditions.

  • MedChem DesignerTM, a chemical sketching tool that combines molecule drawing capabilities with ADMET property predictions.


As of January 1, 2011, 19 of the top 20 pharmaceutical companies, along with the U.S. Food and Drug Administration (FDA), the Centers for Disease Control and Prevention
Centers for Disease Control and Prevention
The Centers for Disease Control and Prevention are a United States federal agency under the Department of Health and Human Services headquartered in Druid Hills, unincorporated DeKalb County, Georgia, in Greater Atlanta...

 (CDC), the National Institutes of Health
National Institutes of Health
The National Institutes of Health are an agency of the United States Department of Health and Human Services and are the primary agency of the United States government responsible for biomedical and health-related research. Its science and engineering counterpart is the National Science Foundation...

 (NIH), and the National Cancer Institute
National Cancer Institute
The National Cancer Institute is part of the National Institutes of Health , which is one of 11 agencies that are part of the U.S. Department of Health and Human Services. The NCI coordinates the U.S...

(NCI) license the company's software.
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