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1016 积分 2024-04-13 加入
Why the Monte Carlo method is so important today
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Decoding Complex Spectra with Machine Learning: Advances in Spectral Unmixing for Chemical Analysis
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Synthesis of titanium glycinate and its application in PET polycondensation reaction
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Study on titanium glycinate catalyzed PET alcoholysis and repolymerization
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Computer-based de novo design of drug-like molecules
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Strategy To Discover Diverse Optimal Molecules in the Small Molecule Universe
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First-Principles Molecular Structure Search with a Genetic Algorithm
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Inverse design in search of materials with target functionalities
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Crystal-LSBO: Automated Design of De Novo Crystals With Latent Space Bayesian Optimization
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Accelerating the development of Fe–Co–Ni–Cr system HEAs with high hardness by deep learning based on Bayesian optimization
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