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GPU-accelerated Chemical Similarity Assessment for Large Scale Databases

The assessment of chemical similarity between molecules is a basic operation in chemoinformatics, a computational area concerning with the manipulation of chemical structural information. Comparing molecules is the basis for a wide range of applications such as searching in chemical databases, train...

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Shranjeno v:
Bibliografske podrobnosti
izdano v:Procedia Comput Sci
Main Authors: Maggioni, Marco, Santambrogio, Marco Domenico, Liang, Jie
Format: Artigo
Jezik:Inglês
Izdano: 2011
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC5072535/
https://ncbi.nlm.nih.gov/pubmed/27774113
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.procs.2011.04.219
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