Discover and optimize new lead compounds using quantitative predictions of binding-site chemistry. Quantitative structure-activity relationships QSAR have long been a favorite way for researchers to optimize lead compounds. Exercise fine-grained control over model-building: Field-Based QSAR gives users a fine degree of control over model building.
Working from the graphical interface, researchers can adjust the most important model-building parameters. Customized search Query Tool. Automated and standardized workflows.
Case studies. Category consitency assessment of six cyclic unsaturated hydrocarbons. Toolbox 3. Step by step example how to predict acute aquatic toxicity to Daphnia.
Example for predicting the carcinogenicity potential of 1- 2-hydroxyethyl nitrosourea CAS by filtering with Ames experimental data. QSAR Toolbox. QSAR Toolbox 4. Toolbox 4. Step-by-step example for predicting skin sensitization potential by making use of read-across. Step-by-step example for predicting Ames mutagenicity by making use of read-across. Step-by-step example for predicting aquatic toxicity to daphnia by using trend analysis.
Step-by-step approach for evaluating category consistency and subsequent read-across. Step-by-step example for predicting skin sensitisation accounting for abiotic activation of chemicals. It is used worldwide by over 25, users such as regulatory authorities, industry, academia, and non-governmental organisations. QSAR Toolbox The Toolbox is a software application intended to be used by governments, chemical industry and other stakeholders in filling gaps in eco toxicity data needed for assessing the hazards of chemicals.
The Toolbox incorporates information and tools from various sources into a logical workflow. The QSAR Toolbox is freely available software that can be used to fill information gaps needed to assess hazards of chemicals. Grouping chemicals into chemical categories is ….
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