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Updated: Jun 14, 2025

Characterizing Lewis Pairs Using Titration Coupled with In Situ Infrared Spectroscopy
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Characterizing Lewis Pairs Using Titration Coupled with In Situ Infrared Spectroscopy

Published on: February 20, 2020

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在分子对上使用主动学习找到最强效的化合物

Zachary Fralish1, Daniel Reker1

  • 1Department of Biomedical Engineering, Duke University, Durham, NC 27708, USA.

Beilstein journal of organic chemistry
|September 3, 2024
PubMed
概括

ActiveDelta通过配对化合物来增强分子优化的积极学习,以提高功效和支架的多样性,特别是在有限的数据的情况下. 这种适应性方法通过更快地识别更好的候选药物来加速药物发现.

关键词:
积极学习是积极学习.药物设计 药物设计机器学习是机器学习.分子优化分子优化强度预测 强度预测

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