ChemmineR Version History
Note: This page has been discontinued since the version tracking has been moved to the README file in the ChemmieR library.
Version 1.2.4
Changes
-
enhanced cluster visualization
- built on R 2.11 for Windows and Mac users
Downloads
Changes
- Correct handling of bad compound in SDF.
- Correct detection of availability of Performance Pack. The
Performance Pack is a separate (and optional) R package that can speed up
ChemmineR's cmp.parse function 5 to 10 times. It also adds support for
file-backed descriptor database to ChemmineR so that you can work with larger
compound library on computer with little primary memory or RAM. Download
Performance Pack for Mac, Performance Pack for UNIX/Linux or Performance Pack for Windows.
Downloads
Version 1.2.1
Changes
- Add support for Performance Pack which uses native code to speed up
compound library parsing.
Download Performance Pack for Mac, UNIX/Linux and Windows.
The Performance Pack is a separate (and optional) R package that can speed up
ChemmineR's cmp.parse function 5 to 10 times. It also adds support for
file-backed descriptor database to ChemmineR so that you can work with larger
compound library on computer with little primary memory or RAM.
Downloads
Version 1.1.1
Changes
- updated Vignette
- sdf.visualize now accepts dataframe for argument 'extra'
- sdf.visualize now accepts names for reference.note
- cluster.sizestat now handles clustering result with multiple cutoffs
Downloads
Version 1.1.0
Changes
- enhanced cluster.visualize
- add db.subset
Downloads
Version 1.0.9
Changes
- check cmp.similarity arguments
- improved compound visualization: now allow a reference compound
- now search has built-in visualization
Downloads
Version 1.0.8
Changes
- sdf.visualize reads CIDs and allows extra description on compounds
- in cmp.cluster, is.similarity is now the default
- db.explain now returns value rather than printing it
- cluster.visualize now outputs to EPS and PDF
Downloads
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