Explanations

Is there a list with all Toolbox QSAR models and documentation for them?
There is currently no document listing all Toolbox QSAR models along with supporting information. However, there is a way to see all available models and ...
Mon, 26 Sep, 2016 at 3:36 PM
What is the difference between OFG and OFG (nested)?
In summary: The OFG profile is currently subdivided into OFG (general) and OFG (nested), which include the same functional groups. The difference is th...
Tue, 6 Dec, 2016 at 2:19 PM
What is the difference between Protein binding by OASIS and Protein binding alerts for SS by OASIS?
The general mechanistic protein binding profiler describes the structural features which are able to bind to proteins in general but are not supposed to...
Tue, 18 Oct, 2016 at 10:41 AM
What does "Precurors quinoid compunds" means in OFG?
When the “Precursors quinoid compounds” alert is found in your target by OFG profiler, this indicates that a quinoid-type compounds could be produced after s...
Fri, 9 Dec, 2016 at 3:52 PM
Is the alert “substituted phenols” in TIMES MNT and CA identical to the alert “substituted phenols” in the TB “OASIS protein binding v1.4” profiler?
The alert “Substituted phenols” in MNT model is identical to the alert “Substituted phenol” part of endpoint specific “Protein binding alerts for CA by OASI...
Thu, 15 Dec, 2016 at 5:22 PM
How can i see the categories from all protein binding profiles?
The proteins binding profilers in Toolbox exist as separate profilers and they have so called hierarchical structure. The levels of the hierarchical structu...
Mon, 30 Jan, 2017 at 10:56 AM
What does the symbol ÷ means?
This symbol represents interval. In case there is numerical value in front of the symbol for interval, the meaning is that this is min value, e.g. 0.5÷ mg/l...
Thu, 2 Feb, 2017 at 12:06 PM
"Unable to open a session for the Danish QSAR Database" - what does it mean?
The Danish (Q)SARs are remotely stored QSAR models which have been integrated into the Toolbox. Thus, these models require a remote connection to the Danish...
Mon, 1 Aug, 2022 at 9:13 AM
Why there is no prediction for my target structure by the Danish QSAR models available in Toolbox?
There are two online systems - Danish QSAR Database and Danish QSAR Models. The Danish QSAR Database (http://qsar.food.dtu.dk) is a collection of pre...
Mon, 1 Aug, 2022 at 9:08 AM
How the confidence range is computated?
Q: The read-across prediction is equal to 30.8 (the mean value of: 72.1, 50.0, 25.0, 3.787, 3.230). With a 95% level of significance (default value) the lef...
Wed, 2 Sep, 2020 at 5:47 PM