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Automated Large-Scale File Preparation, Docking, and Scoring: Evaluation of ITScore and STScore Using the 2012 Community Structure-Activity Resource Benchmark

Sam Z. Grinter, Chengfei Yan, Sheng-You Huang, Lin Jiang, Xiaoqin Zou. Automated Large-Scale File Preparation, Docking, and Scoring: Evaluation of ITScore and STScore Using the 2012 Community Structure-Activity Resource Benchmark. Journal of Chemical Information and Computer Sciences, 53(8):1905-1914, 2013. [doi]

Authors

Sam Z. Grinter

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Chengfei Yan

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Sheng-You Huang

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Lin Jiang

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Xiaoqin Zou

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