Discussion reveals analysis findings on CDK atom typer against PubChem benchmarks, indicating strong performance.
After a discussion on starting development releases for CDK on cdk-devel, the discussion continued on the state of the CDK atom typer. Dan and Rajarshi have done tests in the past against PubChem and its DTP/NCI subset. Rajarshi made his analysis part of CDK Nightly, and provides but a summary (which seems broken: zero fails) and a detailed list.
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Egon Willighagen (2008) studied this question.
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