Modifiying the output.csv to include FILTER columns per each applied filter

PatWalters / rd_filters

A script to run structural alerts using the RDKit and ChEMBL

MIT License

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Modifiying the output.csv to include FILTER columns per each applied filter #25

Open boazi68 opened 2 years ago

boazi68 commented 2 years ago

Hi, Currently, the created .csv contains a single FILTER column when multiple filters are executed in parallel. I suggest to generate a separate FILTER column per each applied filter. I also suggest to replace the current "FILTER" header with the following headers: "FILTER_{name of filter}" Thanks!