人工智能在药物发现中的应用

Djork-Arné Clevert (et al.) | 2025 | ISBN: 3031723805 | English | 214 pages | True ePUB, PDF | 40 MB

Series: Lecture Notes in Computer Science, 14894

This book constitutes the refereed proceedings of the First International Workshop on AI in Drug Discovery, AIDD 2024, held as a part of the 33rd International Conference on Artificial Neural Networks, ICANN 2024, in Lugano, Switzerland, on September 19, 2024.

The 12 papers presented here were carefully reviewed and selected for these proceedings. These papers focus on various aspects of the rapidly evolving field of Artificial Intelligence (AI)-driven drug discovery in chemistry, including Big Data and advanced Machine Learning, eXplainable AI (XAI), Chemoinformatics, Use of deep learning to predict molecular properties, Modeling and prediction of chemical reaction data and Generative models.

系列： Lecture Notes in Computer Science，14894

本书构成了一本由 2024 年第 33 届人工神经网络国际会议（ICANN 2024）在瑞士卢加诺举办的首次人工智能药物发现国际研讨会（AIDD 2024）的同行评审论文集的一部分。

在这里呈现在我们面前的 12 篇论文都经过了严格的审查和选入这些会议记录。这些论文重点讨论了化学领域中由人工智能（AI）驱动的药物发现这一快速演变领域的各种方面，包括大数据以及先进的机器学习、可解释的 AI（XAI）、化学生物信息学、使用深度学习预测分子属性、化学反应数据建模与预测及生成模型。

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