Top 10 Best Chemical Risk Assessment Software of 2026

Chesar, developed by the European Chemicals Agency (ECHA), is a free web-based software tool designed specifically for conducting chemical safety assessments (CSA) under the REACH regulation. It automates the iterative process of exposure assessment, risk characterization, and control recommendations for substances, integrating seamlessly with ECHA's IUCLID platform for data import/export. Chesar generates compliant Chemical Safety Reports (CSR) and exposure scenarios, making it indispensable for regulatory submissions.

The OECD QSAR Toolbox is a free, open-source software developed by the Organisation for Economic Co-operation and Development (OECD) for predicting hazardous properties of chemicals using Quantitative Structure-Activity Relationship (QSAR) models and read-across approaches. It enables users to profile chemicals based on structural features, access curated databases, and generate predictions for endpoints like toxicity, ecotoxicity, environmental fate, and physicochemical properties to support regulatory risk assessments. Widely recognized for filling data gaps in submissions under frameworks like REACH and TSCA, it facilitates Integrated Approaches to Testing and Assessment (IATA).

EPI Suite, developed by the U.S. EPA, is a free Windows-based software package for estimating physicochemical, environmental fate, and ecotoxicity properties of organic chemicals using QSAR models. It includes modules like KowWin for logP, HenryWin for volatility, BioWin for biodegradability, and ECOSAR for aquatic toxicity predictions. Primarily used for screening-level assessments in chemical risk evaluation, it supports input via SMILES, names, or CAS numbers with batch processing options.

ECETOC TRA (Targeted Risk Assessment) is a free web-based tool from the European Centre for Ecotoxicology and Toxicology of Chemicals designed for screening-level exposure assessments of workers and consumers to chemicals. It calculates Risk Characterization Ratios (RCR) based on inputs like substance properties, production volumes, and predefined exposure scenarios, aiding REACH compliance. Widely accepted by regulators, it provides conservative estimates suitable for initial risk screening without requiring advanced modeling expertise.

Stoffenmanager is a web-based chemical risk assessment tool developed in the Netherlands, designed to evaluate occupational exposure to hazardous substances using scientifically validated models. It helps users identify risks, calculate exposure levels, recommend control measures, and generate compliant reports for Dutch and EU regulations like REACH. Primarily targeted at workplaces, it features a comprehensive substance database and integrates exposure scenarios for quick assessments.

Toxtree is an open-source Java-based application designed for predicting toxic hazards and toxicological endpoints from chemical structures using decision tree algorithms. It implements predefined rule-based models for regulatory toxicology, such as Cramer classification for skin absorption, mutagenicity, and skin sensitization under REACH and CLP frameworks. The software supports input in SMILES, InChI, SDF formats and offers batch processing for efficient risk assessment of multiple compounds.

VEGA (vega-qsar.eu) is a free, web-based platform providing a comprehensive suite of validated QSAR models for predicting toxicological, ecotoxicological, and physicochemical properties of chemicals. It supports regulatory chemical risk assessment under REACH by offering predictions with reliability indices, applicability domains, and mechanistic plausibility scores. Users input SMILES, InChI, or CAS numbers to generate hazard predictions essential for prioritizing testing and filling data gaps.

The Advanced Reach Tool (ART) is a free web-based application developed for estimating inhalation exposure to airborne chemical substances during maintenance, cleaning, and similar tasks involving tools in industrial environments. It employs a validated mechanistic model that accounts for variables like substance volatility, droplet size, tool type, and task duration to generate exposure predictions. ART supports chemical risk assessments by providing quick, science-based estimates to inform control strategies under regulations such as COSHH or REACH.

T.E.S.T. (Toxicity Estimation Software Tool) is a free desktop application developed by the U.S. Environmental Protection Agency (EPA) to predict chemical toxicity using Quantitative Structure-Activity Relationship (QSAR) models. It provides estimates for endpoints like acute aquatic toxicity, mammalian oral toxicity, and biodegradation potential through methods such as consensus predictions and nearest-neighbor algorithms. The tool supports batch processing for screening multiple chemicals efficiently when experimental data is scarce.

Derek Nexus, developed by Lhasa Limited, is a computational toxicology software specializing in predicting the mutagenic potential of organic chemicals through a hybrid approach combining expert knowledge-based rules and machine learning models. It excels in assessing genotoxicity, particularly for Ames bacterial mutagenicity assays, aiding compliance with ICH M7 guidelines in pharmaceutical development. The tool provides detailed rationale alerts, confidence scores, and coverage assessments to support hazard identification in chemical risk assessment workflows.