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收藏The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching (vol 9, 33, 2017)
Willighagen, Egon L.; Mayfield, John W.; Alvarsson, Jonathan; Berg, Arvid; Carlsson, Lars; Jeliazkova, Nina; Kuhn, Stefan; Pluskal, Tomas; Rojas-Cherto, Miquel; Spjuth, Ola; Torrance, Gilleain; Evelo, Chris T.; Guha, Rajarshi; Steinbeck, Christoph
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收藏Erratum to: ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics (vol 9, pg 1, 2017)
Sun, Jiangming; Jeliazkova, Nina; Chupakhin, Vladimir; Golib-Dzib, Jose-Felipe; Engkvist, Ola; Carlsson, Lars; Wegner, Jorg; Ceulemans, Hugo; Georgiev, Ivan; Jeliazkov, Vedrin; Kochev, Nikolay; Ashby, Thomas J.; Chen, Hongming
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收藏The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching化学开发工具包 (CDK) v2.0: 原子分型、描述、分子式和子结构搜索
Willighagen, Egon L.; Mayfield, John W.; Alvarsson, Jonathan; Berg, Arvid; Carlsson, Lars; Jeliazkova, Nina; Kuhn, Stefan; Pluskal, Tomas; Rojas-Cherto, Miquel; Spjuth, Ola; Torrance, Gilleain; Evelo, Chris T.; Guha, Rajarshi; Steinbeck, Christoph
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收藏Deconvoluting Kinase Inhibitor Induced Cardiotoxicity
Lamore, Sarah D.; Ahlberg, Ernst; Boyer, Scott; Lamb, Michelle L.; Hortigon-Vinagre, Maria P.; Rodriguez, Victor; Smith, Godfrey L.; Sagemark, Johanna; Carlsson, Lars; Bates, Stephanie M.; Choy, Allison L.; Stalring, Jonna; Scott, Clay W.; Peters, Matthew F.
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收藏ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics
Sun, Jiangming; Jeliazkova, Nina; Chupakin, Vladimir; Golib-Dzib, Jose-Felipe; Engkvist, Ola; Carlsson, Lars; Wegner, Jorg; Ceulemans, Hugo; Georgiev, Ivan; Jeliazkov, Vedrin; Kochev, Nikolay; Ashby, Thomas J.; Chen, Hongming
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收藏Exploring In Silico Prediction of the Unbound Brain-to-Plasma Drug Concentration Ratio: Model Validation, Renewal, and Interpretation
Varadharajan, Srinidhi; Winiwarter, Susanne; Carlsson, Lars; Engkvist, Ola; Anantha, Ajay; Kogej, Thierry; Friden, Markus; Stalring, Jonna; Chen, Hongming
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