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## General Comments | ||
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- This is a resubmission of rcdk-3.7. I have fixed a few NOTES relates to R code quality. | ||
- There is an ERROR on the cloud system related to a difference between the primary dependency of this library, rcdklibs. | ||
- This package should be co-evaluated with rcdklibs | ||
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## Submission | ||
rCDK v 3.7.0 | ||
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## Test environments | ||
* local OS X install, R 4.2 | ||
* win-builder (release) | ||
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## R CMD check results | ||
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0 errors | 0 warnings | 0 note | ||
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## Reverse dependencies | ||
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Using the latest rcdklibs (2.8) and this version of rcdk (3.7) I obtained the following | ||
results. | ||
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--- | ||
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``` | ||
✔ DeepPINCS 1.4.0 ── E: 0 | W: 0 | N: 2 | ||
✔ Rcpi 1.32.2 ── E: 0 | W: 0 | N: 2 | ||
✔ RMassBank 3.6.1 ── E: 0 | W: 4 | N: 4 | ||
✔ RxnSim 1.0.3 ── E: 0 | W: 0 | N: 0 | ||
✔ webchem 1.1.3 ── E: 0 | W: 0 | N: 0 | ||
``` | ||
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- submission of rcdk 3.8.1 | ||
- fix to the SystemRequirements Field | ||
- update CITATION file |
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citHeader("To cite rcdk in publications use:") | ||
citEntry(entry = "article", | ||
author = personList(person(given="Rajarshi",family="Guha", email="[email protected]")), | ||
bibentry( | ||
bibtype = "article", | ||
author = c(person(given="Rajarshi",family="Guha", email="[email protected]")), | ||
journal = "Journal of Statistical Software", | ||
number = 6, | ||
title = "Chemical Informatics Functionality in R", | ||
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