AstraZeneca Bolsters Machine Learning for Drug Development with Schrodinger Deal


2019-09-09 19:00:00 BioSpace


The importance of artificial intelligence and machine learning is ever-increasing in the world of drug development, and AstraZeneca is bolstering its participation in the tech revolution by striking a deal with New York-based Schrodinger to use that company’s advanced computing platform to help accelerate drug discovery efforts. Schrodinger will use its computational platform, which combines physics-based modeling and machine learning, to bolster the work conducted by AstraZeneca’s medicinal and computational chemists to help improve the design of compounds to identify potential new therapeutic candidates. The Schrodinger platform is designed to enable chemists to predict the potency of a molecule binding to a target protein. By doing so, this, according to Schrodinger, “increases the likelihood that, when synthesized, compounds will have the correct properties required for further development and reduces the number of compounds that need to be synthesized.” Garry Pairaudeau, global chemistry lead in R&D at AstraZeneca said the collaboration with Schrodinger will enable the company to realize the “potential of predictive physics-based modeling and machine learning” in order to help the company deliver higher-quality compounds in a more effective manner. Pairaudeau said the company’s strategic goal is to “transform drug design using innovative digital technologies.” Machine learning systematically analyzes data to find connections and AI is used to deduce previously unknown connections. The results are interpreted and used to gain a better understanding of the mechanisms of disease and the compounds that can treat them. On its website, AstraZeneca noted that the use of big data and artificial intelligence turns “yesterday’s science fiction into today’s reality with the aim of enabling the translation of innovative science into life-changing medicines.” On AstraZeneca’s website, Pairaudeau is quoted expressing his belief in the power of AI. He said AI provides the potential to “to transform medicinal chemistry, augmenting traditional design with sophisticated computational methods to predict what molecules to make next and how to make them.” Financial terms of the collaboration were not disclosed by Schrodinger in its announcement this morning. The company said that members of its team will work closely with AstraZeneca in order to seamlessly integrate the platform into the pharma giant’s drug discovery workflow. Ramy Farid, chief executive officer of Schrodinger, said he was excited about the collaboration with AstraZeneca. Farid called the U.K. company a “leader in embracing the potential of technology to reshape drug discovery” and noted that the Schrodinger team is ready to support the efforts to design new drugs with their tech platform. AstraZeneca is no stranger to using artificial intelligence to assist drug development. At the end of April, AstraZeneca and BenevolentAI entered into a long-term collaboration to harness the power of AI and machine learning to discover and develop new drugs for chronic kidney disease (CKD) and idiopathic pulmonary fibrosis (IPF).
在药物研发领域,人工智能和机器学习的重要性不断增加,阿斯利康( AstraZeneca )正与总部位于纽约的薛定谔( Schrodinger )达成协议,利用该公司的先进计算平台,帮助加速药物研发工作,从而增强其对科技革命的参与。 Schrodinger 将利用其结合物理建模和机器学习的计算平台,支持阿斯利康(AstraZeneca)的医学和计算化学家开展的工作,以帮助改进化合物的设计,以确定潜在的新的治疗候选物。Schrodinger 平台旨在使化学家能够预测分子与目标蛋白结合的效力。Schrodinger 认为,通过这样做,“增加了这样一种可能性,即当合成时,化合物将具有进一步发展所需的正确性质,并减少需要合成的化合物数量。” 阿斯利康(AstraZeneca)全球化学研发负责人 Garry Pairodeau 表示,与 Schrodinger 的合作将使公司实现“基于预测物理建模和机器学习的潜力”,以帮助公司以更有效的方式提供更高质量的化合物。帕劳洛表示,该公司的战略目标是“利用创新的数字技术改造药物设计”。 机器学习系统地分析数据以找到连接,人工智能被用来推断以前未知的连接。这些结果被解释和用来更好地了解疾病的机制和可以治疗它们的化合物。阿斯利康( AstraZeneca )在其网站上指出,使用大数据和人工智能将“昨日的科幻小说变成了今天的现实,目的是将创新科学转化为改变生命的药物。” 在阿斯利康( AstraZeneca )的网站上,有人引用帕劳多的话来表达他对人工智能力量的信念。他说,人工智能提供了“改变医药化学的潜力,用复杂的计算方法来增强传统的设计,以预测下一步的分子以及如何制造它们。” Schrodinger 在今天上午的公告中没有披露合作的财务条款。该公司表示,其团队成员将与阿斯利康( AstraZeneca )密切合作,以便将该平台无缝整合到这家制药巨头的药物发现工作流程中。 Schrodinger 首席执行官 Ramy Farid 表示,他对与阿斯利康(AstraZeneca)的合作感到兴奋。Farid 称这家英国公司“在拥抱技术重塑药物发现的潜力方面处于领先地位”,并指出 Schrodinger 团队已经准备好用他们的技术平台支持设计新药的努力。 阿斯利康(AstraZeneca)使用人工智能协助药物开发并不陌生。4月底,阿斯利康(AstraZeneca)和 BentienAI 进行了长期合作,利用人工智能和机器学习的力量,发现和开发用于慢性肾病( CKD )和特发性肺纤维化( IPF )的新药。