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0.10.0 2024-06-28
- Implement support for acyl halides.
- Implement support for chalcogen chains.
- Implement support for nitramides.
- Implement support for noncarbonic oxoacids.
- Implement support for sulfimides, sulfinamides and sulfonamides.
- Postprocess molecular graphs after main chain identification.
- Add nonstandard valences to side chains.
0.9.0 2024-05-30
- Implement support for a(ba)_n chains.
- Implement support for ace...ylenes.
- Implement support for picenes.
- Implement support for salts.
- Implement rules to prefer charged atoms.
- Implement rules for rings.
- Extend the definition for amides.
- Extend the definition for carboxylic, sulfinic and sulfonic acids.
- Extend the definition for sulfinyl and sulfonyl groups.
- Rewrite handling of indicated hydrogen atoms.
- Rewrite rules for isotopes.
- Implement '--opsin' and '--isomorphism' command line options in 'chemonomatopist' executable.
0.8.0 2024-04-09
- 30% correctness rate for all PINs from the Blue Book (2013).
- Implement von Baeyer names.
- Implement support for peroxide.
- Implement parent chain selection rules based on indicated hydrogens
and isotopes.
- Better purine detection.
- Better carboxyl naming.
- Better ester naming.
0.7.0 2024-02-23
- 27.7% correctness rate for all PINs from the Blue Book (2013).
- Implement nonstandard valences.
- Implement support for fluorene.
- Implement support for polyhelicene.
- Implement support for amidines.
- Implement support for diazenes.
- Implement support for isocyanates and isocyanides.
- Implement support for urea.
- Fix issues with naming carbaldehydes, carbonitriles and carboxyls.
0.6.1 2023-10-31
- Implement partial support for porphyrins.
- Implement support for anilino groups.
- Simplify detection of ring membership.
- Fix issues with cyclic amides.
0.6.0 2023-10-13
- Implement support for polyacenes, polyaphenes, xanthenes and similar compounds.
- Implement support for amides, ethers, hydrazides, hydrazines and sulfo groups.
- Fix many issues with parent chain detection.
- Implement '--debug' mode in 'chemonomatopist' executable.
0.5.0 2023-06-16
- Implement support for bicyclic compounds.
- Implement support for ketone analogues, nitro, nitroso and XO3 groups.
- Implement partial support for guanidine.
- Implement '--check' mode in 'chemonomatopist' executable.
0.4.0 2023-05-30
- Implement support for monocycles and monospiro compounds.
- Implement support for some nitrogen- and sulfur-based compound
classes.
0.3.0 2023-05-10
- 99.6% correctness rate for unbranched and branched saturated acyclic
hydrocarbons for PubChem database downloaded on 2022-04-21.
- Implement support for some compound classes having oxygen atoms.
- Implement support for heteroatoms.
0.2.0 2022-05-25
- 97.5% correctness rate for unbranched and branched saturated acyclic
hydrocarbons for PubChem database downloaded on 2022-04-21.
0.1.0 2022-01-18
- Initial release.