Efficient iterative virtual screening with Apache Spark and conformal prediction

被引：0
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作者：
Laeeq Ahmed
Valentin Georgiev
Marco Capuccini
Salman Toor
Wesley Schaal
Erwin Laure
Ola Spjuth
机构：
[1] Royal Institute of Technology (KTH),Department of Computational Science and Technology
[2] Uppsala University,Department of Pharmaceutical Biosciences
[3] Uppsala University,Department of Information Technology
来源：
Journal of Cheminformatics | / 10卷
关键词：
Virtual screening; Docking; Conformal prediction; Cloud computing; Apache Spark;
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