Explanations
{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
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
The only difference in the default similarity options between Toolbox v.3.2. and all versions after is about including or not the whole aromatic ring as ...
Tue, 28 Apr, 2020 at 11:55 AM
When you perform a hypothesis test in statistics, a p-value helps you determine the significance of your results [D.J. Rumsey]. Hypothesis tests are used to...
Mon, 27 Nov, 2017 at 11:38 AM
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
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
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
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
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
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