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Scientific notation number handled incorrectly #143

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stanstrup opened this issue Feb 2, 2018 · 3 comments
Closed

Scientific notation number handled incorrectly #143

stanstrup opened this issue Feb 2, 2018 · 3 comments
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bug Unexpected problem or unintended behavior

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@stanstrup
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Example here: http://www.chemspider.com/Chemical-Structure.391783.html
Water Solubility at 25 deg C (mg/L): 1.369e+004
is read as 1.369.

@stanstrup
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Maybe you have to be explicit and do something like

grep('Water Solubility at 25 deg C', ll, value = TRUE) %>% 
sub('Water Solubility at 25 deg C (mg/L):',"", ., fixed=TRUE) %>% 
as.numeric

@eduardszoecs eduardszoecs added the bug Unexpected problem or unintended behavior label Feb 3, 2018
eduardszoecs added a commit that referenced this issue Feb 3, 2018
@eduardszoecs
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Thanks @stanstrup for reporting.
I added some regex to capture scientific notation in EPI-Suite output (very messy stuff...)

m4 <- cs_prop(391783)
r <- m4$`391783`$epi
r$value_pred[r$prop == 'Water Solubility from KOW']
# [1] 13690

@stanstrup
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Thanks!

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