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Insights for Data-Driven Decisions

The Percepta Platform is a portfolio of software applications and a technology ecosystem for predicting and managing physicochemical, ADME/Tox, and other molecular property data.

With Percepta applications you can predict molecular properties from structure, and train models with experimental data. You can even include custom models created in-house to centrally manage in silico calculations and training sets for distribution so that everyone calculating property data is using up-to-date information.

Software on the Percepta Platform Is Right for You If…

  • Your goal is to facilitate the discovery and optimization of novel compounds with prescribed drug-like/real-world properties
  • You want to reduce the cost of R&D by helping scientists evaluate the behavior and performance of compounds before assay or synthesis
  • Your organization would benefit from in silico molecular property data being stored, updated, and managed in one place for distribution to those that need it
  • You’re searching for a high-throughput screening platform to support early research or create complete compound profiles
  • In silico data is an acceptable alternative to experimental data in some of your regulatory documents/submissions

The Percepta Difference

Industry-Leading Models

  • Our models and algorithms have been part of the portfolio of in silico calculators used by major pharma and environmental researchers for more than 25 years
  • Training databases of Percepta calculation models are based on carefully curated experimental data that provide fast, accurate, and reliable results
  • Gauge the reliability of results yourself from calculation protocols, provided reliability index, a display of similar structures in the database, and literature references for experimental data

Easy to Use

  • Draw or import a structure to calculate properties. The software makes it easy for everyone to generate results and understand them.
  • Model training can be done by anyone—you don’t need experience in computational chemistry or programming

Insights from Data

  • Visualize the substructure/atomic contributions to a property value with color-mapping on the structure (feature available in some prediction modules)
  • Identify trends and prioritize compounds with tools to plot, filter, sort, and rank

Trainable Algorithms

  • Get the accuracy of proprietary models from a commercial product. Use the experimental data collected in-house to enhance the accuracy of prediction models for novel chemical space.

Expandable to Third-Party Models

  • Consolidate all your existing property calculators in one place—models created by your own teams and third-party algorithms

Flexible Deployment Options

  • Percepta software can be installed on individual computers or deployed as a browser-based application
  • Use batch deployment for high-throughput screening

Integrate with Pipeline Pilot & KNIME

  • Percepta calculators may be incorporated into workflow tools such as Pipeline Pilot
  • KNIME integration components are available for thin client deployments

Predictive Modules in Percepta


  • Aqueous Solubility
  • Boiling Point/Vapor Pressure
  • LogD
  • LogP
  • pKa
  • Sigma


  • Blood Brain Barrier Permeation
  • Cytochrome P450 Inhibitors
  • Cytochrome P450 Substrates
  • Distribution
  • Maximum Recommended Daily Dose
  • Oral Bioavailability
  • Passive Absorption
  • P-gp Specificity
  • PK Explorer
  • Regioselectivity of Metabolism


  • Acute Toxicity
  • Aquatic Toxicity
  • Endocrine System Disruption
  • Mutagenicity
  • Health Effects
  • hERG Inhibition
  • Irritation
Customer Reviews
“ACD/Labs' physicochemical and ADMET prediction software provides...a surprising wealth of information on compound drug-likeness in a simple to use, intuitive format with excellent output graphics.”

Bill Simmons
Loyola University

“The best in silico toxicity software I have used. It was very easy to use, and a lot of information could be obtained.”

Tim Tam
Apotex Pharma

“PhysChem, ADME, Tox in one sleek interface that's very user-friendly.”

Regis Leung-Toung

“[Our] main reasons for choosing Percepta were its ease of use, configurability, and ability to use existing in-house algorithms.”

Merck KGaA


Of the world's top 25 pharma companies choose Percepta prediction tools from ACD/Labs


Companies and institutions around the world choose Percepta for molecular profiling and property prediction

> 90%

Of our clients choose to continue using our software year after year

> 4,600

R&D sites worldwide choose ACD/Labs software