Sentence examples for compound attributes from inspiring English sources
There are three types of column mappings: (i) Compound attributes (e.g. identifier, name, CAS, InChI), (ii) Compound structure cargos (e.g. SMILES, MDL Molfile) and (iii) Property and Descriptor values and references cargos.
In the QDB Explorer view, the dataset is presented as a data table, which includes essential compound attributes (e.g., Id, Name), experimental and predicted property values and descriptor values.
Furthermore, measured densities and melting points, indicated differences in molecular packing for odd and even chain length compounds, attributed to geometries necessary for higher packing efficiencies and greater lattice stability.
Monitoring studies showed that compounds attributed to construction products are found in storm water and the receiving bodies of water and that the release of biocides in urban areas can be comparable to the input of pesticides from agricultural uses.
To this last end, we introduce the use of the total gain and partial total gain to quantify recognition and early recognition of active compounds attributed to the variations of the scores obtained with virtual screening methods.
The library contains several distinguished subsets such as (1) known bioactive compounds such as toxins and drugs, (2) natural products, (3) compounds focused on a variety of biological target families and (4) large number of compounds attributing to a significant diversity.
It is shown, for example, that systematic biases in water retention predictions from an original PTF can be conveniently corrected by adding some primary or compound terrain attributes.
Each compound is attributed to a single neuron of pattern layer, for which its descriptors represent a weight vector.
The curator application displays for every active Compound its attribute values and statuses, i.e. correct, incorrect or unknown (see example in Additional file 1, Section 2.2).
