How I can ensure that the corporate title present in my SD or Smiles input file for a virtual screening or Phase database generation is used as the title in the screening results or in the Phase database?

In VSW and the Generate Phase Database workflows, identifying compounds and variants or states of compounds is a critical step. Both the Virtual Screening Workflow and Generate Phase Database panels include an option to choose an existing property as the compound identifier (defaulting to the structure title). If, for example, your corporate compound identifier is not the structure title, but a property derived from the original SD file (e.g., "Corporate ID"), you can choose that property as the compound identifier, and the structures will be organized into compounds and variants or states on that basis. VSW also includes an option to create a unique identifier for each input structure.

Note that the sdconvert utility and the Import panel in Maestro include an option to set the structure titles from a specified SD property during the conversion from SD format to Maestro format.

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