Feature key fingerprints were calculated using CACTVS [45] and the fingerprint-based similarity analysis was performed with a modified version of the program SUBSET [46].
Before relative uncertainties in the detection and attribution study are quantified, an optimal fingerprint-based detection and attribution analysis is employed to investigate changes in winter streamflow in the Connecticut River Basin, which is located in the Eastern United States.
Moreover, molecular analysis inside the network, including a fingerprint-based similarity search (an ECFP-like fingerprint implemented in RDKit) and substructure search, can be performed in the "utility" panel.
These include an overview of the found floor plans, the fingerprint-based mapping between rooms in the query and a selected result and the data analysis of the result set based on clustering.
Fingerprint-based structure representation has a broad range of applications including, but not limited to, diversity analysis, compound classification, chemical space visualization [1], activity landscape modelling and similarity searching.
inSARa (intuitive networks for Structure-Activity-Relationships analysis) was primarily developed with the objective to support the medicinal chemist in tackling SAR analysis and visualization of large data sets in a more intuitive way than fingerprint-based approaches [1].
From the analysis discussed so far it is not obvious to identify the data set with the overall highest scaffold, fingerprint-based, and physicochemical properties diversity.
§ 1542.209 Fingerprint-based criminal history records checks (CHRC).
