Chemicals
Redefine Innovation in the Chemical Industry
AI-Led Solutions for Sustainable Innovation and Discovery
The chemicals industry has achieved remarkable innovations in various areas such as biodegradables, advanced battery materials, sustainable green energy solutions and additives to make carbon reduction processing in industrial uses. They are focused on recombining nature’s molecules to invent exciting new things and refine applications for existing products and components (as stated by Joshua Greenbaum, Principal at Enterprise Applications Consulting). However, we also require urgently to bring revolutionary changes to the chemical industry to bring new innovations to market quicker and more successfully. According to a recent McKinsey & Co survey, it was found that the chemical process innovation is the biggest challenge by the industry, and use of AI and advanced analytics to predict and uncover new chemical molecules or combinations is the leading innovation theme to address the discovery challenge.
Certara.AI technology can assist you to
- Design new polymers and additives
- Uncover new combinations/formulations
- Increase production efficiency
- Predict material properties
- Quicker literature search
- Efficient safety testing
- Improve production/process innovation
- Develop effective molecules and formulations quicker
- Develop specialty materials
Accelerate Discovery with Private AI Platform
73% of c-suite leaders are prioritizing AI over all other digital investments. As investments in AI continue to rise, the need to streamline data collection and AI deployment will be critical to future success. Today’s GPTs are trained on broad sets of data making them great at answering general questions effectively but lacking the expertise and access to data needed for internal use.
The result, users can review, validate, and fine-tune generated responses while providing the reference required for trusted AI use. This enables a powerful platform for applying GPTs across various industrial use cases such as molecular research, report generation, market intelligence and more.
Complex Molecule Discovery
Understanding a molecule’s viability for further development requires the analysis of complex chemical, biological, logistical, and computational data. Certara.AI delivers the ability to comprehend complex data types; discovery scientists spend less time running mundane computational analyses and research tasks. You can use Certara.AI’s Generative AI functionality to explore and analyze potential possibilities (molecular modelling to virtual screening) based on your library of chemical compounds and scientifically validate LLM’s suggestions. AI-led solutions also allow for accelerated development timeline through reduced number of synthesis and evaluation cycles.
AI-assisted Research
Global chemical producers need to focus on their objectives of emission reduction to meet their 2023 goals (starting with scope 1 and 2). To impact the larger ecosystem, their efforts should reach beyond simple abatement to harness material or product alternatives. To achieve desired outcomes, technology to invent new materials, molecules that interact efficiently to produce the outcome desired at lower energy costs and emissions as well as to deliver the performance for the intended use. Certara AI led solutions can optimize and speed up the process of discovery to interpret the modelling data, identify leads that can be effective and expedite low-cost formulations through evaluate, optimize, and assimilate ingredient recipe processes.
Analytics and Accuracy – Improve prediction accuracies
In chemical company workflow, there are predictions in multiple areas from molecules and formulation, to manufacturing, to supply chain to material failures. AI led solutions and technologies can be effective, with industry specific AI foundation and models to better property prediction analytics.
Predictive analytics using AI makes understanding and predicting the outcomes of reactive processes. By sifting through vast and myriad datasets, AI can forecast or discern reaction pathways with precision and speed. AI models and algorithms can be the foundation that can predict the various chemical reactions and be able to select from a menu of starting materials, selecting chemical inputs and determining the reactivity of the given chemical and physical inputs. By using the AI led solutions, one can run through a plethora of options and permutations to optimize predictions and sustainably develop materials to the market.
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Book a free no-obligation demo and explore the advantages of Certara’s AI technology solutions for the Chemical Industry.
Research and Production Use Cases
Literature and information search
As part of early research, looking for and getting appropriate data is crucial. There is vast amounts of published materials, patents and internal data which is prohibitive to search manually and reliably. AI can quickly allow to find reliable data with citable reference.
Additives for performance enhancement
Additives are used in various segments from industrial, commercial to consumer sectors. Some of the functions of the additives are to formulate to enhance function (ex. engine oil additive), improve reliability (ex. additive to reduce scaling or corrosion) or enable energy efficient production (petrochemical refining) and processing.
Advanced coating for pipelines and equipment
Anti-corrosion, anti-scaling, and other coating technologies could be advanced from a materials science perspective. This is essential in pipelines carrying crude oil, refined fuels and hydrocarbons, natural gas, and other pipelines carrying liquefied commodities.
Biodegradable plastics
Plastics that are ubiquitous in industrial and consumer use are one of the huge innovations to lead to environmentally responsible eco-friendly innovations. This includes formulating and manufacturing PET and plant based materials to efficiently address the needs of the packaging use cases.
Optimization through energy consumption
AI models to improve the refining operations and reduce energy consumption. Artificial intelligence system that can predict the performance of refineries and identify areas in which energy efficiency can be improved.
Performance and failure detection of BOP
Assess data-based analysis for determination of elastomer performance in BOP; determine optimum inspection frequency and assess material performance under intense environmental conditions to optimize maintenance, recertification and downtime.
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