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剑桥联合利华分子科学信息学中心的化学信息学研究。

Cheminformatics Research at the Unilever Centre for Molecular Science Informatics Cambridge.

作者信息

Fuchs Julian E, Bender Andreas, Glen Robert C

机构信息

Centre for Molecular Informatics, Department of Chemistry, University of Cambridge Lensfield Road, Cambridge CB2 1EW, UK phone/fax: +44 (0)1223 336472/+44 (0)1223 763076.

出版信息

Mol Inform. 2015 Sep;34(9):626-633. doi: 10.1002/minf.201400166. Epub 2015 Mar 10.

Abstract

The Centre for Molecular Informatics, formerly Unilever Centre for Molecular Science Informatics (UCMSI), at the University of Cambridge is a world-leading driving force in the field of cheminformatics. Since its opening in 2000 more than 300 scientific articles have fundamentally changed the field of molecular informatics. The Centre has been a key player in promoting open chemical data and semantic access. Though mainly focussing on basic research, close collaborations with industrial partners ensured real world feedback and access to high quality molecular data. A variety of tools and standard protocols have been developed and are ubiquitous in the daily practice of cheminformatics. Here, we present a retrospective of cheminformatics research performed at the UCMSI, thereby highlighting historical and recent trends in the field as well as indicating future directions.

摘要

剑桥大学的分子信息学中心,前身为联合利华分子科学信息学中心(UCMSI),是化学信息学领域世界领先的推动力量。自2000年成立以来,300多篇科学文章从根本上改变了分子信息学领域。该中心一直是推动开放化学数据和语义访问的关键参与者。尽管主要专注于基础研究,但与工业伙伴的密切合作确保了来自现实世界的反馈以及获取高质量分子数据的机会。已经开发了各种工具和标准协议,这些在化学信息学的日常实践中随处可见。在此,我们回顾了在UCMSI进行的化学信息学研究,从而突出该领域的历史和近期趋势,并指明未来方向。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3f4f/4583778/8d94c0527d89/minf0034-0626-f1.jpg

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