| Category |
Enhancement Description |
| Result Flagging |
- Automated result flagging process. Ability to define upper and lower bounds for individual parameters and to display whether each parameter should be accepted, flagged or rejected. Ability to derive overall flagging status for each data set.
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| Permeability |
- View graphs for the positive and negative controls together and separately
- Rejecting and unaccepting marker and control compounds automatically rejects and unaccepts the corresponding test compound data
- Incorporates (MDR1 BA/AB)/(MDCK BA/AB) Ratio of Ratios calculation
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| Metabolic Stability |
- Ability to view single graph of test compound and corresponding no-cofactor controls
- Incorporation of incubation free fraction into the well-stirred, parallel tube and dispersion models
- Display in vitro intrinsic clearance values with units of µl/min/mg protein for microsomes
- Display predicted in vivo plasma and blood clearance values with units of mL/min/kg
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| Protein Binding |
- Correction of diluted plasma free fractions to that of the undiluted plasma
- Ability to import and use raw data for calculations
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| Suicide Inactivation |
- Ability to initially determine an apparent Kinact for each inhibitor concentration via least squares regression and then fit this data to the non-linear inactivation equation to predict Ki and Kinact [2 stage linear model]
- Ability to analyze multiple metabolites of the same probe substrate i.e., 2 metabolites of midazolam
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| Rapid Study Entry (RSE) |
- Add compound lot information and comment to RSE data file
- Ability to see imported comment fields in the Gallery
- Ability to import calibration standards and QC data
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| PAMPA |
- Uses the iso-pH permeability equation by Avdeef (Avdeef, A. Curr. Topics Med. Chem. 2001, 1, 277-351)
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| IC50 Shift |
- Extends IC50 gallery to support IC50 Shift assay
- %Inhibition reported in the results tab of the gallery
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| General |
- Error bars on plots (up, down, both, none)
- Support of simple, single time point and single concentration studies (metabolic stability, drug-drug interaction, mechanism-based inactivation) experiments
- Ability to search for compounds used in studies
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| Instrument Interfaces |
- Topcount (Caco-2) interface
- Thermo Xcalibur digital interface
- Addition and deactivation of instrument interfaces
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