[5] Artificial intelligence in drug design .Sci China Life Sci, 2018. [6] Artificial intelligence for optimizing recruitment and retention in clinical trials: a scoping review. J Am Med Inform Assoc, 2024. [7] The role of artificial intelligence in hastening time to recruitment in clinical tri...
2022年,他主编的《计算制药》出版,系统阐释了人工智能在药物研发领域的广泛应用。2024年,他担任主审并翻译了中文版《人工智能药物研发》一书,该书原著是由美国学者亚历山大·海菲兹编著的《Artificial Intelligence in Drug Design》,全书共有23章,段宏亮翻译了其...
Patronov A, Papadopoulos K, Engkvist O. Has Artificial Intelligence Impacted Drug Discovery?Methods Mol Biol. 2022;2390:153-176. doi: 10.1007/978-1-0716-1787-8_6. 本文是《Artificial Intelligence in Drug Design》一书的一章 (pp153–176),主要介绍了深度神经网络 (DNN) 在分子生成中的应用进展。
et al. Application of computational biology and artificial intelligence in drug design[J]. Internatio...
[5] Artificial intelligence in drug design .Sci China Life Sci, 2018. [6] Artificial intelligence for optimizing recruitment and retention in clinical trials: a scoping review. J Am Med Inform Assoc, 2024. [7] The role of artificial intelligence in hastening time to recruitment in clinical tri...
Interpretation of Structure−Activity Relationships in Real-World Drug Design Data Sets Using Explainable Artificial Intelligence https://pubs.acs.org/doi/abs/10.1021/acs.jcim.1c01263 今年我最喜欢的一些工作来自于Rochester的Andrew White小组。在一篇论文中,...
该书的总体介绍见Springer推出新书《Artificial Intelligence in Drug Design》,其他部分章节见文末。 摘要 在过去的三十年里,药物发现科学家们一直关注计算机辅助从头药物设计方法的发展,以快速发现新化合物,治疗人类的疾病。一开始,研究工作主要集中在通过构建(atom-by-atom 和/或 group-by-group的方式)来生成适合靶...
AI in Drug Design and Development AI is thefuture of drug design and development. Many experts predict AI will significantly quicken the pace and improve the success rate of developing new medicines through automation, prediction, and insight generation. But it will complement human discov...
除了传统的实验方法,计算机辅助药物设计(Computer-Aided Drug Design,CADD)自问世以来在药物研发阶段发挥了巨大的作用。药物-靶标相互作用(DTI)是药物发现的重要基础,准确有效的DTI预测能极大地助力药物研发,加速先导或苗头化合物发现。计算机模拟DTI并非全新技术,世面已有许多成熟的开源程序或商业化软件。将AI技术引入CADD...
该书的总体介绍见Springer推出新书《Artificial Intelligence in Drug Design》,其他部分章节见文末。 摘要 在过去的三十年里,药物发现科学家们一直关注计算机辅助从头药物设计方法的发展,以快速发现新化合物,治疗人类的疾病。一开始,研究工作主要集中在通过构建(atom-by-atom 和/或 group-by-group的方式)来生成适合靶...