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Varun Shrivastava - Senior Analyst - AXA Group Operations
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WebNov 19, 2024 · To obtain a uniform distribution of the endpoint values between the two subsets, we applied an activity and descriptors sampling method. First, principal component analysis (PCA) was done on all the 2D descriptors that were calculated using the Dragon 7.0 Extension for KNIME [ 57 , 59 ]; the first two principal components were selected. WebHigh-throughput virtual screening (HTVS) is, in conjunction with rapid advances in computer hardware, becoming a staple in drug design research campaigns and cheminformatics. In this context, virtual compound library design becomes crucial as it generally constitutes the first step where quality filtered databases are essential for the efficient downstream … WebMar 25, 2015 · KNIME Analytics Platform. m_hoosein_m March 25, 2015, 5:24pm #1. hi. how can use Stratified and Random sampling? it is in what node? and how can i set sample … graceland banners