Explanations

What do the atomic qualifiers symbols mean?
{acy} acyclic atom {scy} atom belongs on at least one cycle {dcy} atom belongs on two or more cycles {sscy} strict single cycle. System ...
Mon, 18 Jul, 2016 at 10:26 AM
What is the explanation of the SAR results for Skin/Eye Irritation/Corrosion?
The predictions of Skin/Eye Irritation/Corrosion are based on the combination of Exclusion and Inclusion rules.     I.  Skin predictions are based...
Tue, 19 Jul, 2016 at 10:11 AM
What is the difference between NOEL and Study NOEL?
Study NOEL is the overall NOEL for the study for the Fraunhofer ITEM database. This is equivalent NOEL and Effect=Total in HESS repeated dose DB. ...
Wed, 31 Aug, 2016 at 11:59 AM
What is the meaning of the asterisk in front of a CAS number?
An asterisk in front of a CAS number denotes that it is invalid according to the CAS registry specifications (https://www.cas.org/content/chemical-subs...
Sat, 17 Sep, 2016 at 1:54 PM
Is it correct to use the available experimental data for "invalid" CAS RN?
The basis for the prediction of toxicity in Toolbox is that the properties of a chemical are implicit in its molecular structure. In this respect for va...
Mon, 19 Sep, 2016 at 3:44 PM
What is the difference in colors between brown and green "Display Training Set" in the right click options of QSAR models?
As can be seen from picture 1 below, “Brown” option is related to “Display Training set” (this is the training set used to develop of the model) while the...
Mon, 26 Sep, 2016 at 10:21 AM
Is it possible to get a QMRF when you do "Run ECOSAR"?
QMRF is a documentation of a (Q)SAR model. Once the ECOSAR is activated by Run ECOSAR, it is needed to go at the Help section and select On-Line ECOSAR He...
Mon, 26 Sep, 2016 at 10:24 AM
Who is the Author of M1 M2 M3 M4 models?
The authors of specific models could be seen in the QMRF of the model. For that purpose, “Display QMRF” (by right click on the model – see picture 1) shou...
Mon, 26 Sep, 2016 at 10:27 AM
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