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webchem v0. 4
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@eduardszoecs eduardszoecs released this 10 Apr 04:57
0.4
e5f81ea

webchem 0.4

NEW FEATURES

MINOR IMPROVEMENTS

BUG FIXES

  • extr_num() did not work properly with decimal numbers [issue #136, reported and fixed by @stanstrup]
  • cs_prop() failed when epi-suite data was not available [issue #139, reported and fixed by @stanstrup]
  • cs_prop() failed with invalid html [issue #138, reported and fixed by @stanstrup]
  • cs_prop() gave incorrect answer, if entries were not available [issue #142, reported and fixed by @stanstrup]
  • cs_prop() did not parse scientific number correctly [issue #143, reported by @stanstrup, fixed by @Edild]
  • is.smiles() failed because of changes in rcdk [PR #140, reported and fixed by @allaway]
  • cir_query() failed with identifiers containing spaces (e.g. 'acetic acid') [issue #146, reported by Lars Nielsen]
  • several other functions failed with identifiers containing spaces & returned wrong distance.

DEPRECATED FUNCTIONS

DEFUNCT FUNCTIONS

Assets 5
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