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20 days agoChemDeposit 是在 Google Appengine (java) 上运行的化合物信息生成、存储、检索的服务。 在6月15号，就已经发布上去能工作的版本了 ，不过不能支持子结构检索，只能用指纹散列（fingerprint）做“近似子结构检索）。
23 days agoI often write of the way in which other domains are learning from open source and its successes. But that's not to say the traffic is all
37 days agoMost (maybe all) of what is now called ‘bioinformatics’ grew from amateur projects, pet projects or student projects. In any case, at the time
37 days agoHere's an important post from Mr Open Chemistry, Peter Murray-Rust: “Chemical software will be Open Source” This statement expresses
65 days agoWindows环境下，常用的 SDF文件 阅读和处理的免费（或试用版）软件。 http://www.chemaxon.com/product/marvin_land.html 加载速度快。打开大文件时，随着窗口滚动增量加载解析。
79 days agoThe CDK workshop 2009 is over and what is left is a bad cold. But I’ll get over it. The workshop itself was phantastic - we had 40
82 days agoI’m collecting some thoughts for my CDK workshop kick-off talk on Monday and I guess I’ll go for the boring regular version, with an
85 days agoImage courtesy of emhuwar The Cheminformatics and Metabolism group at the European Bioinformatics Institute (EBI) in Hinxton, Cambridge,
109 days agoDowntown Salt Lake City, Image courtesy of A4GPA I’ve just arrived at the ACS meeting in Salt Lake City . The trip was a real nuisance,
115 days agoI’m delighted to announce that the first open access journal of our field, the Journal of Cheminformatics , is now live and has published
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