A Model of Graph Transactional Coverage Patterns with Applications to Drug Discovery

2021 IEEE 28th International Conference on High Performance Computing, Data, and Analytics (HiPC)(2021)

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摘要
Facilitating the discovery of drugs by combining diverse compounds is becoming prevalent, especially for treating complex diseases like cancers and HIV. A drug is a chemical compound structure and any sub-structure of a chemical compound is designated as a fragment. A chemical compound or a fragment can be modeled as a graph structure. Given a set of chemical compounds and their corresponding larg...
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关键词
Drugs,Performance evaluation,Computational modeling,Biological system modeling,High performance computing,Conferences,Diversity reception
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