NEWS.md

In ccdR: Utilities for Interacting with the 'CTX' APIs

ccdR 1.1.0

• ccdR will no longer be actively maintained. Users are encouraged to use ctxR which will be actively maintained and developed further beyond the point where ccdR currently remains.

Breaking changes

• Currently no reverse dependencies and no breaking changes.

New features

• New get_bioactivity_endpoint_status() and get_hazard_endpoint_status() retrieve Bioactivity and Hazard endpoint statuses, respectively (#61).

• New get_chemical_endpoint_status() provides Chemical API status (#49).

• New get_inchi() and get_inchikey() functions retrieve inchi and inchikey data (#49).

• New get_msready_by_mass_with_error_batch() retrieves msready mass data with mass error option (#49).

• New get_smiles() retrieves smiles data (#49).

• New tests included for chemical_equal_batch(), chemical_contains(), chemical_contains_batch(), get_inchi(), get_inchikey(), get_smiles(), and get_msready_by_mass_with_error_batch() (#49).

• New get_exposure_endpoint_status() provides Exposure API status (#46).

• New get_exposure_functional_use() and get_exposure_functional_use_batch() retrieves functional use data (#46) and get_exposure_functional_use_category() retrieves functional use categories (#46).

• New get_exposure_functional_use_probability() and get_exposure_functional_use_probability_batch() retrieves functional use probability data (#46).

• New get_exposure_list_presence_tags_by_dtxsid() and get_exposure_list_presence_tags_by_dtxsid_batch() retrieve list presence tag data and get_exposure_list_presence_tags() retrieves list presence tag details (#46).

• New get_exposure_product_data() and get_exposure_product_data_batch() retrieve exposure product data and get_exposure_product_data_puc() retrieves exposure product data PUCs (#46).

• New test-exposure-APIs.R and test-exposure-APIs-batch.R for Exposure API functions (#46).

• New Exposure.Rmd vignette (#46).

Minor improvements and fixes

• Added badges to Reamdme.Rmd and Readme.md (#61).

• Renamed ccte_key() to ctx_key() and has_ccte_key() to has_ctx_key(). Also renamed instances of 'CCTE' and 'CTED' to 'CTX' when referring to APIs and updated DESCRIPTION file (#61).

• Updated bootstrap_ccdr() to reflect new API name (#61).

• Fixed bug in get_bioactifity_details() for handling different nested field types (#57).

• Fixed bug in get_bioactivity_details() for unnesting returned data.frame (#52).

• Fixed bug in get_bioactivity_details() for handling m4id mismatch (#50).

• New projection values for get_chemical_details() and get_chemical_details_batch() (#49).

• New parameter in chemical_starts_with(), get_chemical_starts_with_batch(), chemical_equal_batch(), chemical_contains(), and chemical_contains_batch() controlling number of returned results (#49).

• New parameter in get_chemical_image() and get_chemical_image_batch() for SMILES input (#49).

• Updated Chemical.Rmd with code examples for new functions (#49).

• Updated Bioactivity.Rmd to reflect new CTX API name, added references to introduction, improved exposition and code examples (#47).

• Updated Bioactivity.Rmd, Chemical.Rmd, Hazard.Rmd, and Introduction.Rmd to include current references, change names to reflect new CTX API branding (#45).

• Updated attach message and added '.onLoad()` function to fix API key bug when loading package from another package (#43).

ccdR 1.0.0

ccdR 0.1.0

• Added a NEWS.md file to track changes to the package.
• Initial release.

ccdR documentation built on Sept. 11, 2024, 5:57 p.m.