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Fig. 13 The Batch Search allows for searching the database using inputs of Chemical Name, CASRN, InChIKey, DTXSID and Exact Molecular Formulae.
Figure 2 PubChem Batch Search interface [14].
The user can further direct a batch search to download selected data and metadata associated with the successfully mapped portion of the original chemical list.
The screenshot is the result from the batch search upload of 1414 SMILES via extraction of the FPO URL for US20120040982.
It currently supports the three different search modes: simple text search mode (in the main window), structure search mode (in the main window), and batch search mode (through the Tools menu).
A batch search of the challenge MS/MS against the challenge candidate list (in the ESD) was performed on the top 500 candidates, to avoid long computational run times.
Similar(14)
For batch searches the PubChem query upload interface is shown below [14].
Batch searching allows for direct chemical identifier (ID) mapping and downloading of multiple data streams in several different formats.
The concept of the release numbers was established in order to control public access and to inform SQL*LIMS™ managers if a new protein could be identified due to new batch searches using the newest database releases.
Batch searching allows for direct chemical identifier (ID) mapping and downloading of multiple data streams in several different formats and facilitates access to available structure, property, toxicity, and bioassay data for collections of thousands of chemicals at a time.
Batch searches of overall protein-protein interaction network information were performed via the meta-database UniHi (http://theoderich.fb3.mdc-berlin.de:8080/unihi).
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