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| QuantumFP: Accelerating Drug Discovery with Quantum Fingerprinting | ||
| By: PR Newswire Association LLC. - 31 Mar 2023 | Back to overview list |
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QSimulate launches a high-throughput quantum fingerprinting product for drug-like molecules, adding a novel dimension to data-driven discovery. BOSTON, March 31, 2023 /PRNewswire-PRWeb/ -- Quantum Simulation Technologies, Inc. (QSimulate) announces the launch of QuantumFP (Quantum FingerPrinting) in QSP Life, which enables automated high-throughput simulation of quantum mechanical fingerprints of drug-like molecules for data-driven discovery. This new product addresses the growing need for more precise, reliable, and cost-effective molecular data in modern drug discovery. In recent years, AI methods have had a significant impact on the speed of drug discovery efforts. QuantumFP can further accelerate these efforts by improving the accuracy of AI predictions through better molecular characterization. QuantumFP is optimized for the scalability of cloud computing resources and designed to efficiently generate quantum mechanical fingerprint data for large machine learning models. David Pearlman, VP of Product, says "QuantumFP automates the labor-intensive and error-prone aspects of the process used to generate quantum data on large numbers of drug-like molecules. This includes determining stable 3-dimensional structures and calculating various quantum mechanical properties that serve as novel fingerprints of such molecules." The automation capabilities ensure that research teams focus their time on data processing rather than generation. Quantum fingerprints are expected to play an important role in data-driven drug discovery because small changes in molecular structure can have significant impacts on efficacy and safety. By incorporating quantum mechanics into AI, scientists can better predict how a given drug will behave in the human body, allowing them to optimize drug design and reduce the risk of adverse reactions. QuantumFP is a new addition to QSP Life, a collection of useful products, including the previously released small molecule lead optimization product (both quantum and classical) and various utilities such as those for protein and ligand preparation. About QSimulate Media Contact Media Contact Trevor Barsamian, QSimulate, 1 617-249-4828, media@qsimulate.com
SOURCE QSimulate 
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