The Future of Chemical Screening
FUSION™ is a feature-rich software application for systems toxicology and in silico chemical screening. FUSION is different by design. FUSION utilizes multiple high-quality chemical and omic data types and advanced machine learning technologies to explore and predict toxicity potential within a diverse range of compounds, species, and endpoints. FUSION is a complete solution providing experimental data, biochemical knowledge, and automated model development in one easy-to-use integrated system. FUSION can be live linked with chemical assays, production instrumentation, and environmental sensors for real-time analysis and process control. FUSION is redefining the future of green chemical design, accelerated drug development, and safer food production.
Chemical Intelligence. Protecting Health. Protecting the Environment™
FUSION promotes intelligent testing strategies, accelerated product development, and
safer production processes.
FUSION IN ACTION
Quantitative Structure Toxicity Relationships (QSTR)
A Fortune-500 corporation’s Advanced Materials Division utilizes FUSION for high throughput screening of chemical compounds. The goal is to reduce or eliminate the hazardous properties within consumer food packaging. From FUSION setup to effective multi-target screening in under 10 days.
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Integrated Data and Knowledge Management
FUSION provides on-demand access to the best-in-class public chemical and assay data. FUSION lets you interactively construct a training dataset based on a broad range of chemical properties, biochemical targets, and toxicity endpoints. Users can review a dataset’s combined chemical-assay profile based on the desired domain-of-applicability (DoA) for topological, geometric, and physiochemical descriptors, both established and custom designed fingerprints, and a growing inventory of structural alerts—all visually and in real time. Users can continually explore training data quality and relevance utilizing built-in literature search options which access over 25 million peer-reviewed abstracts automatically filtered on the terms and concepts in both open access and experimental datasets, further ensuring the latest chemical advances are utilized during model development. FUSION is accelerating how quickly high-quality data can be located and utilized in the research enterprise.
Fully integrated chemical and molecular data, bioassay results, and pathway knowledge for immediate use in advanced QSxR models.
Integrated Data and Knowledge Management
FUSION provides on-demand access to the best-in-class public chemical and assay data. FUSION lets you interactively construct a training dataset based on a broad range of chemical properties, biochemical targets, and toxicity endpoints. Users can review a dataset’s combined chemical-assay profile based on the desired domain-of-applicability (DoA) for topological, geometric, and physiochemical descriptors, both established and custom designed fingerprints, and a growing inventory of structural alerts—all visually and in real time. Users can continually explore training data quality and relevance utilizing built-in literature search options which access over 25 million peer-reviewed abstracts automatically filtered on the terms and concepts in both open access and experimental datasets, further ensuring the latest chemical advances are utilized during model development. FUSION is accelerating how quickly high-quality data can be located and utilized in the research enterprise.
Fully integrated chemical and molecular data, bioassay results, and pathway knowledge for immediate use in advanced QSxR models.
AI and Intelligent Analytics
FUSION is designed to rapidly explore your chemical space utilizing AI-based search techniques to identify and characterize toxicity potential across hundreds of species, target, and endpoint combinations. FUSION allows researchers to build virtual chemical libraries by selecting predefined reaction schemes or by performing retrosynthetic analysis starting from a target molecule. On-screen automation options allow you to define reactivity/selectivity rules, substructure exclusions, minimum compound diversity, and maximum structure complexity to remain compliant with project objectives. FUSION will design and test thousands of structure-hazard combinations per day and provide real-time assessment of each compound’s physical properties, structural alerts, pathway involvement, and disease associations. FUSION can identify promising chemical structures and perform in silico toxicity screening without custom programming or costly IT support. FUSION is redefining how quickly statistical and mechanistic QSxR systems can be developed.
FUSION models are based on a rich matrix of chemical and biological features to increase mechanistic interpretability and accelerate safe-chemical development.
AI and Automated Discovery
In silico models complement and often reduce the need for physical experiments providing a level of flexibility and reproducibility not available in other screening technologies today. Researchers can now perform real-time in silico chemical property profiling across a broad range of species, endpoints and targets on demand. Upon submission of a new compound, FUSION responds with a property prediction, prediction confidence, a multiscale visual inventory of chemical descriptors, structural alerts, pathway involvement, and disease associations all live linked to the supporting literature. On-demand access to this diverse range of information will assist with mechanistic understanding and accelerate complex AOP studies. FUSION is redefining the impact statistical and mechanistic QSxR systems are having on green chemical design, accelerated drug development, and safer food production.
Real-Time Chemical Alerts
Comprehensive AOP Analysis
Weight-of-Evidence Reporting
FUSION models can be deployed as microservices for real-time analysis and process control.
AI and Automated Discovery
In silico models complement and often reduce the need for physical experiments providing a level of flexibility and reproducibility not available in other screening technologies today. Researchers can now perform real-time in silico chemical property profiling across a broad range of species, endpoints and targets on demand. Upon submission of a new compound, FUSION responds with a property prediction, prediction confidence, a multiscale visual inventory of chemical descriptors, structural alerts, pathway involvement, and disease associations all live linked to the supporting literature. On-demand access to this diverse range of information will assist with mechanistic understanding and accelerate complex AOP studies. FUSION is redefining the impact statistical and mechanistic QSxR systems are having on green chemical design, accelerated drug development, and safer food production.
Real-Time Chemical Alerts
Comprehensive AOP Analysis
Weight-of-Evidence Reporting
