Scaling machine learning for target prediction in drug discovery using Apache Spark
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- 作者：Dries Harniea ; c ; dries.harnie@vub.ac.be" class="auth_mail" title="E-mail the corresponding authorAuthor Vitae ; Mathijs SaeyaAuthor Vitae ; Alexander E. Vapirevb ; cAuthor Vitae ; Jö ; rg Kurt WegnerbAuthor Vitae ; Andrey GedichfAuthor Vitae ; Marvin SteijaertgAuthor Vitae ; Hugo Ceulemansb ; cAuthor Vitae ; Roel Wuytsc ; d ; eAuthor Vitae ; Wolfgang De MeuteraAuthor Vitae
- 关键词：Drug discovery ; Apache Spark ; Machine learning ; Target prediction
- 刊名：Future Generation Computer Systems
- 出版年：2017
- 出版时间：February 2017
- 年：2017
- 卷：67
- 期：Complete
- 页码：409-417
- 全文大小：1073 K
文摘
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We have used Spark to automatically distribute C++ predictors over a cluster.
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Our Spark application allows near-linear speedup and optimal cluster utilization.
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The core of the algorithm is easily changed to allow for experimentation.