MISATO: A Machine Learning Dataset of Protein-Ligand Complexes for Structure-based Drug Discovery In the dynamic field of AI technology, a pressing challenge for the drug discovery
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Engineering Leader | Generative AI & ML | Data & Platform Engineering | Digital Transformation | Cyber Security | Certified Lean Portfolio Manager| SaFe Agilist | CSPO | CSM
Last week, I had the privilege of attending "Machine Learning in Chemoinformatics & Drug Discovery." It was fascinating to learn how Machine Learning and Generative AI are revolutionizing the field of bioinformatics and accelerating drug discovery processes like never before. With the power of AI and ML, scientists can now analyze vast amounts of biological data more efficiently, uncovering hidden patterns and insights through Naive Bayes, Random Forest, K Nearest Neighbor, Support Vector Machine, Multilayer perceptron algorithms, PubChem, Padel-Descriptor, and WEKA. This enables faster identification of potential drug targets, Clinical trials, prediction of drug interactions, and optimization of drug design. From virtual screening and molecular modeling to personalized medicine and precision therapeutics, the possibilities are endless! #MachineLearning #GenerativeAI #Bioinformatics #DrugDiscovery #ArtificialIntelligence
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Our recent collaboration attempt on AI applications for neural network predicting multi-constituents in corn using near infrared spectroscopy! Published in Food Chemistry (Impact factor 8.5). https://lnkd.in/ehhVtEAk https://lnkd.in/eUCsvG3U Highlights • A rapid and accurate method for detecting the multi-constituents in corn. • The eXtreme Gradient Boosting used to reconstruct new features. • A two-parametric Swish (TSwish) activation function was proposed. • The proposed model can achieve higher stability and prediction accuracy.
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Dynamic Supply Chain and Logistics Professional with over 10 Years of Diverse Industry Experience | Expertise in Corporate and Humanitarian Sectors | Proven Record in Operational Efficiency and Strategic Innovation CSCF™
🧬 ESM3: 500 Million Years of Evolution in One AI Model! 🚀 ESM3's ability to simulate millions of years of evolution in a single model is truly mind-boggling. This technology has the potential to revolutionize drug discovery, enhance our understanding of protein evolution, and accelerate breakthroughs in numerous scientific fields. As we witness this convergence of AI and biology, it's crucial to consider both the immense opportunities and the ethical implications of such powerful tools. #aiinbiology #evolutionarycomputing #proteindesign #biotechinnovation #futuretech Full read here: https://lnkd.in/d2bwe7xW
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Is biology at an inflection point? Today, at Ginkgo Bioworks, Inc. Ferment 2024 a panel of AI experts discussed biology, AI, data and the acceleration transforming data into knowledge and treatments for patients. Karen Akinsanya, Molly Gibson, Iya Khalil, Debora Marks, and Anna Marie Wagner, eloquently depicted how advances in biological measurement are generating measurements at unprecedented scale (all tissues, all cells) and resolution (spatial metrics to near or actual atomic scale). These are now intersecting with compute power and artificial intelligence capable of actually moving the needle to making biology a quantitative science.
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Consultant IT: Artificial Intelligence, Statistics, Data Science, Machine Learning, Information Systems, Project Manager
Google DeepMind unveils #GEMS: a new method for high-fidelity molecular simulations! GEMS uses machine-learned quantum-mechanical force fields (MLFFs) trained on diverse chemical fragments, enabling ab initio quality nanosecond MD simulations of over 25,000 atoms, shedding light on dynamic biomolecular processes. This AI approach tackles limitations, allowing faster & more accurate studies. Quick Read: https://lnkd.in/eyRjcUv8 #moleculardynamics #simulation #forcefield #machinelearning #ai #sciencenews #biotechnology
GEMS: DeepMind's Novel Approach to Accurate Biomolecular Dynamics through Machine-Learned Quantum-Mechanical Force Fields
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AlphaFold 3 by #Google #DeepMind! This groundbreaking AI model unlocks the secrets of life's molecules, predicting the structures and interactions of proteins, DNA, RNA, and more. 𝐖𝐡𝐚𝐭 𝐭𝐡𝐢𝐬 𝐦𝐞𝐚𝐧𝐬: Deeper Biological Understanding: AlphaFold 3 acts as a powerful microscope, revealing intricate details of molecular structures, accelerating biological research. 𝐑𝐞𝐯𝐨𝐥𝐮𝐭𝐢𝐨𝐧𝐢𝐬𝐢𝐧𝐠 𝐝𝐫𝐮𝐠 𝐝𝐢𝐬𝐜𝐨𝐯𝐞𝐫𝐲: By predicting interactions with incredible accuracy, AlphaFold 3 has the potential to significantly speed up the development of new life-saving drugs. 𝐁𝐞𝐲𝐨𝐧𝐝 𝐦𝐞𝐝𝐢𝐜𝐢𝐧𝐞: The applications extend far and wide, from creating sustainable materials to improving crop resilience. ♻️ AI is truly pushing the boundaries of scientific exploration and this technology holds immense promise for the future of healthcare, agriculture, and countless other fields. #DeepMind #ScientificBreakthrough
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Scientists unveil #RiffDiff, a groundbreaking hybrid approach combining Machine Learning and atomistic modeling to design de novo enzymes with custom substrate pockets. It is a significant advance in tackling 21st-century biotechnological challenges. Quick Read: https://lnkd.in/gCdbk7S5 #Bioinformatics #EnzymeEngineering #SyntheticEnzymes #Biocatalysis #IndustrialBiotechnology #ProteinDesign #MachineLearning #AI #SyntheticBiology #ScienceNews
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Can biology ➕ #generativeAI help address some of the biggest challenges that define our generation? Discover how Ginkgo Bioworks, Inc. is building an #AI platform for biological engineering and biosecurity, powered by #VertexAI ↓
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Can biology ➕ #generativeAI help address some of the biggest challenges that define our generation? Discover how Ginkgo Bioworks, Inc. is building an #AI platform for biological engineering and biosecurity, powered by #VertexAI ↓
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The majority of "biodevelopers" are integrating #machinelearning into their work. For some scientists, that’s #AlphaFold or GPT-4. Most use cases involve target identification, in silico screening, and hit generation. The state of #techbio is constantly evolving. See what Bits in Bio discovered about current trends: https://lnkd.in/gwy2VZ8W
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