A scalable algorithm for molecular property estimation in high dimensional scaffold-based libraries (Q445411)
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scientific article; zbMATH DE number 6072147
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| default for all languages | No label defined |
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| English | A scalable algorithm for molecular property estimation in high dimensional scaffold-based libraries |
scientific article; zbMATH DE number 6072147 |
Statements
A scalable algorithm for molecular property estimation in high dimensional scaffold-based libraries (English)
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24 August 2012
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QSAR
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HDMR
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Substituent reordering
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Property prediction
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0.7207493185997009
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0.658523678779602
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0.6581646203994751
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