Quantum Source’s Post

In this work https://lnkd.in/dxTHpQVV “Hybrid quantum cycle generative adversarial network for small molecule generation“ we explore the potential of quantum neural networks for generative applications. Specifically, we focus on the drug design problem of generating molecules with desired properties. This choice is driven by the broad practical importance of drug discovery and the potential suitability of quantum algorithms in designing quantum molecular structures.   Our research on applying generative quantum machine learning has led to a novel approach for enhancing classical solutions using parametrized quantum circuits. We have integrated these circuits into established molecular generative adversarial networks and proposed quantum cycle architectures. These enhancements have improved model performance and stability during training. Through extensive experimentation on benchmark drug design datasets, QM9 and PC9, our models have demonstrated significant improvements, outperforming previously achieved scores. Notably, the new scores show an increase of up to 30% in the quantitative estimation of drug-likeness.   We believe our work presents a significant stride in finding applied quantum solutions for existing industry challenges. Asel Sagingalieva, Vishal Shete, and Markus Pflitsch

🚀 Quantum GenAI for Drug Discovery! 🚀 Our team at Terra Quantum AG have been intensively researching the ways in which new medicines are developed, and we are thrilled to announce the publication of our latest results. The paper, “Hybrid quantum cycle generative adversarial network for smallmolecule generation,” has just been published in the prestigious journal, IEEE Xplore Transactions on Quantum Engineering. A new drug takes up to 15 years and ~$1 billion to reach patients. If the first step of this process could be improved, the downstream consequences would reduce the time and cost of this important endeavor. This first step is computational, and it is where we put quantum computing to work. Pharmaceutical companies are using #GenAI to come up with molecules that have the potential to become drugs. They then use advanced algorithms to estimate which of these molecules have the best characteristics to make them worthy of further examination. Our work has shown that quantum computing enhances this process. The molecules produced by quantum-enhanced GenAI scored 30% higher in the Quantitative Estimate of Drug-likeness metric. The proposed molecules that score highest in this metric are among the most likely to continue to the end of the drug development pipeline and benefit patients. The full paper is openly accessible here: https://lnkd.in/e3TfWkim and below 👇 Markus Pflitsch Alexey Melnikov Vishal Shete Asel Sagingalieva Christopher Mansell #QuantumIsNow #QuantumComputing #QuantumInnovation #HybridQuantum #QuantumTechnology 

"Graphene, as a novel category of carbon nanomaterials, has attracted a great attention in the field of drug delivery. Due to its large dual surface area, graphene can efficiently load drug molecules with high capacity via non-covalent interaction without chemical modification of the drugs. Hence, it ignites prevalent interests in developing a new graphene/graphene oxide (GO)-based drug delivery system (GDDS)." #graphene #drugdelivery #nanomaterials #quantummechanics #computationalchemistry #chemistry

Short summaries of common In silicio techniques and their applications to the drug development/ discovery field. In silico techniques in drug development offer significant advantages in terms of speed, cost, and efficiency. By integrating these computational approaches, researchers can streamline the drug discovery process, improve the prediction of drug behaviour and efficacy, and ultimately bring safer and more effective drugs to market faster.

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For my July ChemE article, I decided to explore two topics I love: drug delivery and nanotechnology. The first part of this series, which I published last month, introduced my readers to drug delivery and the evolution of delivery systems. This month, I decided to take things a step further by discussing drug delivery vehicles, particularly focusing on nano-based drug delivery carriers. I explored several concepts from theranostics and combined therapy to reduced immune detection and biological clearance. I’m super excited to share it with you all. My July ChemE article titled: “Drug Delivery: The Role of Nanotechnology in Modern Medicine,” is now available on medium: https://lnkd.in/dYmYxxVp Happy Hump Day! #nanotechnology #chemicalengineering #blogpost #article #july2024 #drugdelivery #drugdeliveryvehicles

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𝐋𝐚𝐛 𝐨𝐧 𝐚 𝐜𝐡𝐢𝐩 𝐚𝐧𝐝 𝐌𝐢𝐜𝐫𝐨𝐚𝐫𝐫𝐚𝐲𝐬 𝐌𝐚𝐫𝐤𝐞𝐭: 𝐆𝐥𝐨𝐛𝐚𝐥 𝐒𝐢𝐳𝐞, 𝐒𝐡𝐚𝐫𝐞 & 𝐅𝐨𝐫𝐞𝐜𝐚𝐬𝐭 𝟐𝟎𝟑𝟒 ▶𝐑𝐞𝐪𝐮𝐞𝐬𝐭 𝐟𝐨𝐫 𝐒𝐚𝐦𝐩𝐥𝐞 𝐏𝐃𝐅: https://lnkd.in/dbjgrgcg The Global Lab on a Chip and Microarrays market, valued at $14.8 billion in 2021, is anticipated to grow at a notable CAGR of 19.1% by 2031. A biochip, combining multiple laboratory operations into a single device, enables high-throughput screening and automation. Advances in nanotechnology have propelled the development of lab-on-a-chip technologies, allowing multiple laboratory functions to be integrated into devices ranging from a few millimeters to a few square centimeters in size. These devices are pivotal for small-scale studies, facilitating high-throughput automation and screening. Protein arrays, extensively used in proteomics for better understanding human proteomics, drug discovery, diagnostics, and personalized medicine, dominate the market. The market's growth is driven by the increasing demand for point-of-care testing, the rising prevalence of chronic diseases, and the expanding application of genomics and proteomics in cancer research.   𝐒𝐞𝐠𝐦𝐞𝐧𝐭𝐚𝐭𝐢𝐨𝐧: ▶𝐁𝐲 𝐓𝐲𝐩𝐞: Lab-On-A-Chip, Microarrays. ▶𝐁𝐲 𝐓𝐞𝐜𝐡𝐧𝐨𝐥𝐨𝐠𝐲: DNA Microarrays, Microfluidics, Tissue Biochip, Others. ▶𝐁𝐲 𝐀𝐩𝐩𝐥𝐢𝐜𝐚𝐭𝐢𝐨𝐧: Clinical Diagnostics, Drug Discovery, Genomics and Proteomics, Other Applications ▶𝐁𝐲 𝐑𝐞𝐠𝐢𝐨𝐧: North America, Europe, Asia Pacific, Latin America, Middle East & Africa (MEA). 𝐊𝐞𝐲 𝐏𝐥𝐚𝐲𝐞𝐫𝐬 𝐜𝐨𝐯𝐞𝐫𝐞𝐝: BD, Agilent Technologies, Danaher Corporation, Bio-Rad Laboratories, Abbott, PerkinElmer, IDEX Corporation, Thermo Fisher Scientific, Cepheid. #LabOnAChip #Microarrays #Biotechnology #Microfluidics #LifeSciences #PointOfCareTesting #Genomics #PersonalizedMedicine #BiotechTrends #ClinicalDiagnostics #Biosensors #LabAutomation #NextGenSequencing #Bioengineering #MolecularBiology #BiomedicalResearch #HealthcareInnovation #DiagnosticTechnologies #FutureOfMedicine #ResearchAndDevelopment

New Advancements in Combinatorial Chemistry Accelerate Drug Discovery Researchers at ETH Zurich have developed an enhanced DNA-encoded library (DEL) technology that can synthesize and test billions of drug molecules in a matter of weeks. Traditional DEL methods were limited by small molecule size and lack of quality control. ETH Zurich's novel self-purifying approach integrates magnetic particles to allow automated synthesis and washing cycles. This prevents contamination and ensures only complete molecules with all building blocks remain. Lead researcher Jorg Scheuermann says this expanded capability. Now they can explore greater molecular diversity, including larger cyclic peptides that target new pharmacological properties. Beyond individual drug candidates, the team's method supports large-scale initiatives like Target 2035 seeking molecules for ~20,000 human proteins. It also fuels fundamental protein research by enabling specific binding molecule discovery. To facilitate adoption, Scheuermann's team will spin out a company delivering this end-to-end DEL solution. They're seeing strong interest from pharmaceutical and academic partners excited to harness combinatorial chemistry at bios scale. By overcoming previous limitations, this innovative work demonstrates how computational synthesis techniques can radically accelerate drug R&D timelines through exponentially vast libraries. Kudos to the ETH Zurich researchers for this breakthrough technology! Source: https://lnkd.in/dw2ftbNb

The world of synthetic #chemistry opens doors to uncovering promising new drugs for both in vitro and in vivo evaluations. Discover how this can elevate your project by visiting: https://okt.to/0BD9FK