生长变吼叫
发表于 2025-3-21 19:04:01
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夹死提手势
发表于 2025-3-21 21:01:41
https://doi.org/10.1007/978-3-031-72359-9artificial intelligence; classification; deep learning; generative models; graph neural networks; image p
东西
发表于 2025-3-22 03:09:15
978-3-031-72358-2The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Nature Switzerl
倔强一点
发表于 2025-3-22 07:54:54
Michael Giretzlehner,Lars-Peter Kamolz identifying hits. Hence, there is a clear need for ‘big data’ compatible chemoinformatics methods to analyze such vast combinatorial compound collections. For example, a library can be characterized by its data distribution on a 2D map. Generative Topographic Mapping (GTM) is particularly well-suit
Implicit
发表于 2025-3-22 11:56:11
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FOLLY
发表于 2025-3-22 13:23:08
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反馈
发表于 2025-3-22 20:01:28
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省略
发表于 2025-3-23 00:46:11
Language, Morality, and Legitimacyy. Data splitting is crucial for better benchmarking of such AI models. Traditional random data splits produce similar molecules between training and test sets, conflicting with the reality of VS libraries which mostly contain structurally distinct compounds. Scaffold split, grouping molecules by sh
adipose-tissue
发表于 2025-3-23 03:46:31
Handbook of Business LegitimacyThese libraries have grown over the years and currently count several billions commercially available compounds. This raises the need for high-throughput virtual screening approaches that can handle these sizes in a reasonable amount of time. In this paper we introduce our Target-Aware Drug Activity
Melodrama
发表于 2025-3-23 05:43:45
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