通过人工智能发现基于的药物:朝着治疗的自主设计
Montserrat Goles1,2, Anamaría Daza3, Gabriel Cabas-Mora1
1Departamento de Ingeniería en Computación, Universidad de Magallanes, Av. Pdte. Manuel Bulnes 01855, 6210427, Punta Arenas, Chile.
Briefings in bioinformatics
|June 10, 2024
概括
人工智能 (AI) 通过克服短半衰期等挑战,加速治疗性的发现. 这涉及先进的AI模型来设计和验证新的类药物候选者.
科学领域:
- 酸科学是一种科学.
- 计算生物学是一种计算生物学.
- 药物发现 药物发现
背景情况:
- 治疗性提供了多样化的生物活性,但面临着诸如低生物利用率和短半衰期等局限性.
- 计算工具和人工智能 (AI) 正在彻底改变的研究和开发.
- 现有的挑战包括优化数据处理和验证用于人工智能的预测模型,用于酸设计.
研究的目的:
- 探索AI在开发中的整合,从分类到先进的生成设计.
- 概述传统的机器学习策略,并提出一个全面的AI辅助体设计和验证管道.
- 强调人工智能的实际应用,加快新型治疗的发现.
主要方法:
- 使用分类器方法和预测系统进行分析.
- 使用深度生成模型,包括生成对抗网络 (GAN) 和变异自动编码器 (VAE).
- 开发和实施一个全面的人工智能辅助管道用于类设计和验证.
主要成果:
- 人工智能集成为探提供了先进的方法和数据库.
- 深度生成模型有助于先进的体设计.
- 拟议的管道解决了处理优化和模型验证方面的挑战.
结论:
- 人工智能对于克服治疗的局限性和加速药物发现至关重要.
- 一个人工智能辅助的管道增强了新候选人的设计和验证.
- 人工智能的实际应用有望加快开发基于的治疗方法.
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