Comma-separated values file

Macro FindPeak.mac automatically exports the mass spectral data, including ion masses and abundances for each peak in the gas chromatogram, to a. CSV (comma separated value) file. Each. CSV file contains MS data for one peak from the gas... 

In order to find structures and data in PubChem, there are search tools available online.2 This may suffice for your needs. The data are also available in the form of SDF files and csv (comma-separated values) files. 

Select the Library (libref) and Member (data set) to be exported, and then click Next to open the Select Export Type window. To get a CSV file, select Comma Separated Values as the standard data source, as follows ... 

SD structure file or a file containing a list of identification numbers [Excel or Comma Separated Value (CSV) format] can be uploaded. In the Excel or CSV cases the protocol will automatically look up the structure that corresponds to the identification number, as it does for the text box input. A useful feature (see Databases under Parameters in Fig. 7) is the ability to search multiple databases in a single search. This is made possible by the use of Perl in the Pipeline Pilot protocol. The Perl code is very general and easily allows for the addition of new databases as they become available, thereby further increasing the versatility of this protocol. 

Data from PSpice can easily be exported to other programs by copying the traces displayed by Probe. To copy data from PSpice, you must run the simulation, display the results using Probe, and then copy and paste the data from Probe into MS Excel or another spreadsheet program. Once the data is in your spreadsheet, you can manipulate it or export it to other programs such as MATLAB by using comma separated values (.CSV) formatted data files. 

The output from the QikProp is obtained in four files, viz. qikpropameslOO. out, qikpropameslOO.mae, qikpropameslOO.qpsa and qikpropameslOO.csv. Apart from the usual physico-chemical properties, the comma-separated values (CSV) file shows the important descriptors like caco-2 and MDCK cell permeability, blood-brain barrier (logBB), HERG, CNS which are important ADME predicted parameters for a molecule to qualify as drug (Fig. 2.10). 

The website is organized with a test series per page. Each test data page contains one executable file for each test in the test series as weU as a file named DOC.EXE that contains information documenting the test series. These executable files are self-extracting Zip files that, when executed, create one or more comma-separated value (CSV) text files containing the actual test data or other test information. 

PyRx users can also export virtual screening results as CSV (Comma-Separated Values) or SDF files. This is useful for further analysis, filtering, or re-ranking of virtual screening results with third-party packages. 

A word of caution is in order with respect to the use of Listing 9.6 and general data sets. The code uses the routine read dataQ on line 8 to read in data values from a file. This routine assumes that the data is stored on a line-by-line basis with the data values separated by tabs, commas or spaces and each line terminated by a line return character. For data sets stored in other manners, the routine will not properly read in the data sets. The routine will also ignore text lines in the data file following a data set provided fliere is a blank line separating the data from any text lines. If data files are downloaded from the nist.gov data site referenced above, the downloaded data files do not satisfy these requirements and the files must be changed into the proper form for use with the read data() routine. This data mismatch with the read dataQ function is also possible with other data sites, so one must be careful to match the data format to the format assumed in the read dataQ routine. 

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