artificial intelligence

Atlantic Basin Conference on Chemistry 2026 (ABCChem 2026)

Chemical societies across North and South America, Europe, and Africa invite chemistry professionals to the 3rd Atlantic Basin Conference on Chemistry (ABCChem). This event offers an opportunity for top scientists from around the Atlantic Basin to share ideas and collaborate on current multi-disciplinary chemistry topics. ABCChem 2026’s theme is Chemistry for Global Impact: Strategic Partnerships for Sustainable Innovation. 

Building Access to Tomorrow’s Medicines: bringing together humans, robots, and artificial intelligence - A Workshop

The National Academies of Sciences, Engineering, and Medicine will host a workshop exploring the transformative potential of artificial intelligence (AI) and machine learning (ML) in chemical sciences and drug discovery. Sponsored by the Chemical Sciences Roundtable, this event will bring together researchers, policymakers, and stakeholders to examine how AI tools can address data biases and democratize pharmaceutical research, potentially reducing drug development costs down from billions of dollars and decades of work.

Development of Machine Learning Models on the Ani-icing Performance of NADES for Application in Anti-icing Coatings

Ice formation remains a critical challenge across multiple industries, posing safety risks, economic burdens, and, in extreme cases, fatalities. Effective anti-icing strategies are essential to mitigate these issues, yet the demand for environmentally friendly, cost-effective, and efficient solutions persists. Natural deep eutectic solvents (NADES) have emerged as a promising low-toxicity alternative for addressing ice formation.

DP4+ APP: Simplifying In Silico Structural Elucidation. Scope and Advantages of Each Correlation Method

A novel statistical correlation method, MM-DP4+, was developed to enhance NMR-based molecular structure elucidation by significantly reducing computational costs through the use of MM-optimized geometries. A comprehensive evaluation of 36 theory levels identified SMD/ωB97XD/6-31+G**//MMFF as the most accurate and cost-effective approach, achieving 91% accuracy in stereochemical assignments. A Python-based software, DP4+App, was created to streamline the implementation of DP4+, MM-DP4+, and customizable DP4+ calculations via a user-friendly interface.

AI + Limited Data (part of the National Academies AI + Y Series)

AI's potential in meeting sustainability challenges include improving resource management; mitigating wastes generated through industrial processes; and minimizing disruptions while still preserving excellent safety standards. AI tools have already been shown to improve processes for chemical engineering but AI as a part of a digital revolution in the chemical industries is still unfolding.

AI + Scalability| Hosted by the Chemical Sciences Roundtable

Join us October 3, 2024 from 12:30-2:00 PM ET for the second installment of the Chemical Sciences Roundtable’s 2024 webinar series on AI topics in the fields of chemistry and chemical engineering where Melanie Mesropian (AIChE) will moderate an interactive conversation between Leo Chiang (Dow Chemical) and Greg Mulholland (Citrine) about what it means to use AI tools sustainably with possible examples ranging from R&D efforts to product manufacturing.

AI Platform for Chemical Formulation

InFLOWS AI offers a suite of computer-aided tools designed to revolutionize chemical formulation. Developed by experts in chemistry, AI, and high-performance computing, the platform includes tools such as FitFLOW, which evaluates ingredient-product affinity, safety, and function; SwapFLOW, which identifies greener, safer, and better-performing alternative compounds; DesignFLOW, which leverages AI-driven recipe design to optimize formulas for performance, cost, and efficacy; and MetaFLOWS, which conducts meta-dimensional analyses for comprehensive business transformation.