Titlebook: Drug Development Supported by Informatics; Hiroko Satoh,Kimito Funatsu,Hiroshi Yamamoto Book 2024 The Editor(s) (if applicable) and The Au

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978-981-97-4830-3The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Nature Singapor

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,Model — Interactive Variogram Modeling,the next frontier of materials science, substantially reducing the time and costs required in the discovery and development of innovative materials. Material design aims to identify a set of design variables that exhibit the desired properties. To address this, we apply a two-stage workflow consisti

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Tony Bridgeman,P. C. Chatwin,C. Plumptonhe similarity between graphs and can be combined with any kernel methods, and ., which are neural networks designed for machine learning such as classification and regression on graphs. We also review ., which enables us to efficiently search desirable drugs in enormous search space.

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Ute Winkels,Yoko Schlütermann-Sugiyamalds of machine learning, including breakthroughs in chemistry and biology. In this chapter, we explore how analogies between chemical and natural language have inspired the use of Transformers to tackle important bottlenecks in the drug discovery process, such as retrosynthetic planning and chemical

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