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PK Explorer Module Estimates a number of parameters determining the pharmacokinetic profile of your compounds by using a set of differential equations from a multi-compartment model describing the organism of an average statistical human: Cp(T) Tmax and Cp(max) AUC after oral and intravenous administrations Oral Bioavailability Regioselectivity of Metabolism Module The CYP Regioselectivity model is able to provide valuable insights into a compound's metabolic profile early in the drug discovery process when little or no experimental information is available, and labor intensive investigation of each compound in the screening process is prohibited by the large number of compounds involvedLogo Usage: Here are the preferred versions of our corporate logoP-gp transports a variety of natural compounds and drugs of different therapeutic areasACD/Labs Product Suites Bundles of Percepta prediction modules are available to offer cost savings for multiple modules that support particular workflows, and provide related modules as a packageEvaluate predictions in single structure or spreadsheet view—each module offers different prediction-specific tools/information including: Colour coded mapping on the structure to highlight atomic/substructure contributions Interactivity with structures to assess contributions from different structural elements Graphs showing the effect of pH Calculation protocols Spreadsheet view offers the additional capability to view predictions from all licensed modules in one screen, and a number of graphing, sorting, and filtering tools to rank compounds and aid evaluationTzvetkov et alP-gp specificity model may serve as an initial screen that could replace screening test based on P-gp ATPase activity measurements and partially replace expensive experiments with P-gp expressing cell monolayers and P-gp knock-out animalsRight-click to download.png format(47 KB, 915 x 724 pixels) Right-click to download.jpg format(55 KB, 216 x 171 pixels) Right-click to download.eps format(733 KB) Please e-mail marketingacdlabs.com with any questionsProduct Name, version #.#, Advanced Chemistry Development, Inc., Toronto, On, Canada, www.acdlabs.com, 2015

MRapid identification of drug candidates that are P-gp substrates and/or inhibitors is possible using P-gp specificity modelThe logP prediction model provides an estimate of the value of the octanol-water partitioning coefficient (also referred to as KOW) as the logarithmic ratio (logP), from structureACD/Percepta Platform ACD/Percepta Portal Desktop Modules for ACD/Percepta Desktop Modules for ACD/Percepta Percepta Profilers Percepta Predictors Batch Modules for ACD/Percepta Platforms and Products > ACD/Percepta Platform > Percepta Predictors ACD/Labs Percepta Predictors—Software Modules to Predict Physicochemical, ADME, and Toxicity Properties from Structure A Collection of Expert Modules Built for Comprehensive Evaluation of Structure-Property Relationships Get an in-depth understanding of structure-property relationships with ACD/Labs' fully powered predictive models for physiochemical and ADME properties, and toxicity endpointsLiterature Publications: To cite ACD/Labs software in literature publications, follow the guidelines below.Evaluate and investigate predictions from different algorithms—several different models for prediction of logP and pKa are providedConnect with ACD/Labs: Platforms and Products ACD/Spectrus Platform ACD/Percepta Platform Data Management and Informatics Solutionsby Industry Agrochemical Chemicals and Material Science Contract Research Organizations Flavors and Fragrances Food and Beverages Forensics and Doping Laboratories Pharmaceutical Water and Environmental Academia Solutionsby Scientific Activity Drug Discovery Knowledge Management Open Access Laboratory Quality Assurance and Competitive Analysis Enterprise Solutions Metabolite ID Solution Impurity Resolution Management Decision-Support for Preformulation Studies Services and Support Data Management and Informatics Current Software Version Technical Support Resources Resource Library Software Downloads ACD/I-Lab IUPAC Nomenclature Company Media Room Events and Seminars Careers About Us Contact Us ACD/Labs Store Buy Online Copyright 1996–2017 Advanced Chemistry Development Last modified: January 11, 2017 at 11:35:26 Privacy Policy Terms of Use Abraham—the original author of this six parameter system

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