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The example workflow shown as HSA_HERG uses a block created from an R script. This particular R scr...
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How to add an R service to Inkspot
In this study you will use the Inkspot workflow system to carry out some exploratory QSAR modelling...
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Explore QSAR with Inkspot. Step One.
The Scatter Plot block is a very useful tool, but defining the x, y inputs is "not intutitive" yet. It will be improved, but this note is to help users get started in the mean time. The ScatterPlotProps screenshot shows...
Note
In this part we will repeat the exploratory data analysis but using a different dataset for Herg bi...
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Explore QSAR with Inkspot. Step Two.
You can try this with either data set (HSA or HERG). You will see other blocks for calculating mult...
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Multi-Variate QSAR Example. Step Three
Inkspot provides a simple to use workflow system for assembling blocks of code into solutions for d...
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Auto-QSAR. The Discovery Bus
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