The Blue Obelisk—Interoperability in Chemical Informatics Guba R, Howard MT, Hutchinson GR, Murray-Rust P, Rzepa H, Steinbeck C, Wegner J, Willighagen EL: The Blue Obelisk - interoperability in chemical ... R Guha,MT Howard,GR Hutchison,... - 《Journal of Chemical Information & Modeling》...
High-throughput computation of molecules and crystals is supported through an XML infrastructure based on Chemical Markup Language (CML). Tools have been d... J Wakelin,P Murray-Rust,S Tyrrell,... - 《Molecular Simulation》 被引量: 29发表: 2005年 Further improvements in TRACE 3-D TRACE 3-...
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