关键词: ChEMBL Cheminformatics Chemography Computational toxicology Exploratory data analysis Latin America Natural products On-demand compound catalogs Zika

来  源:   DOI:10.1186/s13321-023-00758-0   PDF(Pubmed)

Abstract:
We report the major highlights of the School of Cheminformatics in Latin America, Mexico City, November 24-25, 2022. Six lectures, one workshop, and one roundtable with four editors were presented during an online public event with speakers from academia, big pharma, and public research institutions. One thousand one hundred eighty-one students and academics from seventy-nine countries registered for the meeting. As part of the meeting, advances in enumeration and visualization of chemical space, applications in natural product-based drug discovery, drug discovery for neglected diseases, toxicity prediction, and general guidelines for data analysis were discussed. Experts from ChEMBL presented a workshop on how to use the resources of this major compounds database used in cheminformatics. The school also included a round table with editors of cheminformatics journals. The full program of the meeting and the recordings of the sessions are publicly available at https://www.youtube.com/@SchoolChemInfLA/featured .
摘要:
我们报告了拉丁美洲化学信息学学院的主要亮点,墨西哥城,2022年11月24-25日。六个讲座,一个车间,在一次在线公开活动中,有四位编辑参加了一次圆桌会议,来自学术界的演讲者,大型制药公司,和公共研究机构。来自79个国家的1,000名学生和学者报名参加了会议。作为会议的一部分,化学空间的列举和可视化方面的进步,在基于天然产品的药物发现中的应用,药物发现被忽视的疾病,毒性预测,并讨论了数据分析的一般指南。ChEMBL的专家介绍了如何使用化学信息学中使用的这个主要化合物数据库的资源的研讨会。学校还包括与化学信息学期刊编辑的圆桌会议。会议的完整程序和会议记录可在https://www上公开获得。youtube.com/@SchoolChemInfLA/精选。
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