Explanations

How to add literature information for my custom profiler?
Create your literature file. Save it in a word format – an example word file is illustrated on Figure 1:     Figure 1. A literature saved in a word for...
Wed, 28 Sep, 2022 at 3:34 PM
Does Toolbox calculate the regression coefficient and standard error?
Actually, Toolbox calculates the regression coefficients along with their confidence intervals (usually at 95% confidence level). Indeed, you can use these ...
Tue, 20 Jul, 2021 at 11:29 AM
Does Toolbox perform leave-one-out or any other methods to assess robustness?
Yes, Toolbox performs “leave-one-out” and Q2* is the result of this calculations. The procedure calculating Q2 is the following – each chemical from the tra...
Tue, 20 Jul, 2021 at 11:31 AM
How to define custom profiler with similarity criteria?
1. Go to the Profiling section 2. Click the New button and gave the name of the profiler (in my case it is "Custom Structure similarity profiler"...
Mon, 1 Aug, 2022 at 9:17 AM
Configurable Instance Packager
The Configurable Instance Packager tools provides the user with a simplified way of packaging a QSAR Toolbox profiler file (*.profiler.config) into a QSAR T...
Fri, 7 Oct, 2022 at 8:18 AM
QSAR Toolbox Profiler->About->Documentation
The QSAR Toolbox Profiler can display a PDF file, via the about form's "Documentation" button. The PDF file should be named the same as the n...
Thu, 29 Sep, 2022 at 8:54 AM