Percepta Platform

The Percepta Platform, developed by ACD/Labs, is a portfolio of software applications and a technology ecosystem for predicting and managing physicochemical, ADME/Tox, and other molecular property data. It is designed for pharmaceutical researchers, environmental scientists, and R&D organizations that need to evaluate compound behavior and performance before assay or synthesis, support high-throughput screening, or centrally manage in silico calculations and training sets.

Percepta allows users to predict molecular properties directly from chemical structure, train prediction models using experimental data collected in-house, and incorporate custom or third-party models into a single platform. The software is suited to organizations where in silico data is used in regulatory documents or submissions, and where consistent, up-to-date property data needs to be distributed across teams.

Key Capabilities

• Predict physicochemical, ADME, and toxicity properties from molecular structure
• Train prediction models using in-house experimental data to improve accuracy for novel chemical space
• Incorporate custom models developed internally as well as third-party algorithms, consolidating all property calculators in one place
• Visualize substructure and atomic contributions to property values via color-mapping on the structure (available in select prediction modules)
• Identify trends and prioritize compounds using tools to plot, filter, sort, and rank data
• Gauge result reliability through calculation protocols, a provided reliability index, display of similar structures in the training database, and literature references for experimental data
• Draw or import structures to generate property predictions without requiring expertise in computational chemistry or programming

Predictive Modules — Physicochemical

• Aqueous Solubility
• Boiling Point / Vapor Pressure
• LogD
• LogP (three prediction algorithms available)
• pKa (acid dissociation constants)
• Sigma

Predictive Modules — ADME

• 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

Predictive Modules — Toxicity

• Acute Toxicity
• Aquatic Toxicity
• Endocrine System Disruption
• Mutagenicity
• Health Effects
• hERG Inhibition
• Irritation

Products Powered by the Percepta Platform

• PhysChem Suite — predicts physicochemical properties including logP, logD, and pKa from structure
• ADME Suite — predicts ADME properties such as oral bioavailability, absorption, and CYP inhibition from structure
• Tox Suite — predicts toxicity endpoints including hERG inhibition, aquatic toxicity, and irritation from structure
• Absolv — calculates solvent-solvent and gas-solvent partition coefficients using Abraham solvation parameters
• Impurity Profiling Suite — predicts genotoxic and carcinogenic endpoints from structure to support ICH M7(R2) guideline compliance

Deployment and Integration

• Percepta software can be installed on individual computers or deployed as a browser-based application
• Batch deployment is supported for high-throughput screening workflows
• Percepta calculators can be incorporated into Pipeline Pilot workflow tools
• KNIME integration components are available for thin client deployments

Percepta's prediction models are based on training databases built from curated experimental data, and the platform has been used by major pharmaceutical and environmental research organizations for more than 25 years. More than 55% of the world's top 25 pharmaceutical companies use Percepta prediction tools, and the platform is in use at over 767 companies and institutions worldwide.