Sentence examples for search compound from inspiring English sources

The " Search compound" tool enables users to carry out searches of previously detected compounds stored in the MeRy-B knowledgebase.

VS is used to search compound libraries to identify structures which are putative binders for a particular drug target.

Three helpful tools allow the sorting, visualization and export of the data already stored into the database: the search Spectral Data and search Compound under the tab labeled Data consultation and the Query builder under the Tools menu.

Users can search compounds via the range of criteria listed, and tabulated results are fetched by AJAX requests.

Through 3-D-database pharmacophore searching, compound 12 was identified as a very weak DAT inhibitor with Ki values of 7.3 and 8.9 μM in [3H]mazindol binding and in inhibition of dopamine reuptake, respectively.

During the second step, a query into the plant molecule relational database finds registered plants containing the searched compound.

M.V. performed ligand soaking experiments, X-ray data collection, solved and refined the complex structures, measured the p Ka values of compounds, searched compound databases for hit enrichment, and designed compounds.

The deconvoluted spectra by our data processing protocol were introduced to the NIST MS Search 2.0 software for automatically searching compound information from the NIST 08 library and the author-constructed standard library.

OrChem for instance flags specific SMILES patterns that have proved discriminating for searching compounds like those in ChEMBL [19].

Therefore, the built models were used to screen the Pubchem database, by searching compounds had 80% similarity with the most active compound of the studied series (compound 16).

Therefore, the built MLR model was used to screen the PubChem database, by searching compounds had 95% similarity with the most active compound of the studied series (Compound 29) and fulfilling the Lipinski's rule of bioavailability [27].