ACD/Labs Percepta Profilers
Screen and profile compounds for PhysChem and ADMET properties including pKa, lipophilicity, hERG inhibition, oral bioavailability, and more...
Profilers in the Percepta platform are tools that allow you to rapidly profile and screen compounds using our high quality predictive models for physicochemical, ADME, and toxicity parameters.
View full property profiles in one interface
The spreadsheet interface provides convenient access to the full array of predicted results in one screen. Import SDfiles of up to 1000 structures and predict the full array of properties with a few mouse clicks. Numerical and text-based results are provided for predictions. Import in-house data into the same spreadsheet and review all relevant data for your project in one place.
Customize thresholds and colours for at-a-glance review
The ability to set acceptable and unacceptable thresholds for properties, and assign custom colors facilitates visual interpretation, and makes profiling large collections of compounds a more manageable task.
Use a variety of tools to aid the decision-making process
A variety of specially designed tools facilitate the analysis of the predicted data allowing you to sort, filter, and rank compounds, extract valuable information, and draw conclusions.
Benefits
- Quickly identify promising candidates, within a larger set of structures or compound library, that meet your specific PhysChem, ADME, and Tox criteria
- Increase productivity and facilitate the analysis of multiple structures and experimental data
- Prioritize work and resources based on reliable property profiles
The profilers are available as two bundles. Prediction algorithms are based on the same high quality predictive tools that have been developed by ACD/Labs over the last 15 years and used by chemists, experts, and researchers worldwide.
Screen or profile structures using predicted physicochemical properties and view numerical results across the spreadsheet. Quickly determine which
sets of structures meet the desirable physicochemical values using color-coded indications that classify predictions according to adjustable thresholds.
Simply group or select compounds of interest by applying easy-to-use filtering tools available in the spreadsheet interface.
Predict an array of physicochemical properties including:
See the full list of physicochemical and molecular properties available in PhysChem Profiler.
Aqueous Solubility
Adsorption Coefficient (Koc
Bio-Concentration Factor
Density
Freely Rotatable Bonds
H-Bond Donors and Acceptors
Index of Refraction
LogD
LogP
Molar Refractivity
Molar Volume
Molecular Weight
Parachor
pKa
Polar Surface Area
Polarizability
Rule-of-5
Surface Tension
Benefits
- Anticipate the characteristics of your compounds prior to acquiring or synthesizing samples
- Take a realistic look at behavior of electrolytes and non-electrolytes
- Gain a quick overview of compound classes to focus discovery and development
Screen or profile the most promising drug candidates using predicted ADMET properties and view numerical results across the spreadsheet. Easily identify
the most suitable structures that meet specific criteria using colour-coded indications that classify predictions according to adjustable thresholds. Simply
group or select compounds of interest by applying easy-to-use filtering tools available in the spreadsheet interface.
Predict an array of ADME properties and Toxicity endpoints including:
Benefits
- Reduce attrition rates with early in silico ADME and toxicity profiling
- Focus research efforts on lead compounds that meet specific property requirements
- Reduce the need for expensive and labor-intensive assays
- Enable researchers to rapidly make intelligent decisions about drug candidates
ACD/PhysChem Profiler
