NEWS.md

In nanxstats/Rcpi: Molecular Informatics Toolkit for Compound-Protein Interaction in Drug Discovery

Rcpi 1.37.1 (2023-06-27)

Improvements

• Migrate rcdk to a runtime soft dependency using rlang, to avoid build time issues.
• Migrate unit tests from using RUnit to testthat.
• Use GitHub Actions workflows for R CMD check and building the pkgdown website.
• Fix URLs that are broken or moved in the documentation.

Rcpi 1.33.2 (2022-07-17)

Improvements

• Updated the endpoint URL of UniProt API to fix access issues (#14).

Rcpi 1.33.1 (2022-05-07)

Improvements

• Remove the Enhances field in DESCRIPTION to improve clarity.

Rcpi 1.33.0 (2022-04-25)

Improvements

• Fixed a build error on macOS in the devel branch due to dependencies not available.

Rcpi 1.21.1 (2019-05-17)

Improvements

• Removed AppVeyor CI due to the frequent Bioconductor installation and dependency issues which are not related to the package itself.
• Updated GitHub repository links due to the recent handle change.
• Updated the vignette style.

Rcpi 1.19.2 (2019-02-24)

Bug Fixes

• Fixed the issues in calcTwoProtGOSim() and calcParProtGOSim() to use the latest GOSemSim API for computing GO based semantic similarity.

Rcpi 1.19.1 (2018-11-21)

Bug Fixes

• Fixed API endpoints that are not working due to their changes across time (#5).
• Fixed the vignette example for QSRR study (#6).

Improvements

• Reformat vignette code with tidyverse style.

Rcpi 1.17.2 (2018-07-15)

Improvements

• Further remove all words related to the previous installation method per Bioconductor's request.

Rcpi 1.17.1 (2018-07-13)

Improvements

• Use the new BiocManager for installation instructions.

Rcpi 1.15.1 (2017-11-17)

Bug Fixes

• Resolved a critical bug due to improper ifelse conditioning for the distribution descriptor in CTD.

Rcpi 1.13.4 (2017-06-21)

Bug Fixes

• Fixed the ALOGP unit test to make it work under the recently updated CDK

Improvements

• Added more unit tests for molecular descriptor calculation to improve code coverage

Rcpi 1.13.3 (2017-06-09)

Improvements

• Added Travis CI for continuous integration under Linux
• Added Appveyor for continuous integration under Windows

Rcpi 1.13.2 (2017-06-07)

Improvements

• Migrated from Sweave-based PDF vignette to knitr-based HTML vignette

Rcpi 1.13.1 (2017-05-07)

Improvements

• Better code formatting
• Minor fixes in function documentation and vignette

Rcpi 1.11.2 (2016-11-18)

Bug Fixes

• Fixed some R CMD check errors
• ChemmineOB related fixes
• Fixed all drug molecule downloading utilities

Rcpi 1.11.1 (2016-11-12)

Bug Fixes

• Fixed known problems in extractProt functions
• Fixed some build and dependency related problems
• Fixed some functions for downloading drug/chemical structures, such as getMolFromPubChem() and getMolFromChEMBL().
• General code style and documentation improvements

Rcpi 1.0.2 (2014-07-20)

New Features

• Added the profile-based representation for proteins derived by PSSM

Documentation

• Added a vignette which grouped similar functions into the same category. See vignette('Rcpi-quickref') . This makes the package structure clearer and enhances its usability.
• Other documentation improvements

Rcpi 1.0.0 (2014-03-01)

New Features

• Initial release

nanxstats/Rcpi documentation built on July 6, 2023, 9:57 a.m.