Toxtree (Toxic Hazard Estimation )

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Analyzed 4 months ago. based on code collected 7 months ago.

Commit Message	Contributor	Files Modified	Lines Added	Lines Removed	Code Location	Date
Jan 27, 2024 — Jan 27, 2025 Showing page 87 of 100 Search / Filter on:
gnujaxp is not needed anymore	nina as vedina	More...				over 17 years ago
Copied here from CDK source tree in order to handle the aromatic bond issue (this code writes 4 as aromatic bond code). Have to seek for a better solution.	nina as vedina	More...				over 17 years ago
clean up .bak files	nina as vedina	More...				over 17 years ago
1.34 API Javadoc	nina as vedina	More...				over 17 years ago
property change support instead of Observable for treeresult;	nina as vedina	More...				over 17 years ago
Number formatting (4 digits)	nina as vedina	More...				over 17 years ago
removing MyIteratingMDLReader.java (was introduced due to a bug in IteratingMDLReader)	nina as vedina	More...				over 17 years ago
Update to use latest CDK (with IBond.Order and Map instead of Hashtable for properties)	nina as vedina	More...				over 17 years ago
Update to use latest CDK (with IBond.Order and Map instead of Hashtable for properties)	nina as vedina	More...				over 17 years ago
Update to use latest CDK (with IBond.Order and Map instead of Hashtable for properties)	nina as vedina	More...				over 17 years ago
force field option	nina as vedina	More...				over 17 years ago
force field option	nina as vedina	More...				over 17 years ago
updates	nina as vedina	More...				over 17 years ago
fix to use the new CDKHydrogenAdder	nina as vedina	More...				over 17 years ago
Fix in AtomicNumber class in order to recognise [#1] smarts pattern	nina as vedina	More...				over 17 years ago
Update files for Toxtree 1.33 / Toxforest 1.14 release	nina as vedina	More...				over 17 years ago
modified to return number of matches rather that number of unique atoms (for performance reasons)	nina as vedina	More...				over 17 years ago
Beatify tree report	nina as vedina	More...				over 17 years ago
include categories list	nina as vedina	More...				over 17 years ago
random access (indexed) file support	nina as vedina	More...				over 17 years ago
html doctype added; todo escape html	nina as vedina	More...				over 17 years ago
aromaticity	nina as vedina	More...				over 17 years ago
for now will be using the old HueckelAromaticityDetector; the new one will need some refactoring and testing	nina as vedina	More...				over 17 years ago
Upgrade to cdk-1.1.svn.jar (7.12.2007)	nina as vedina	More...				over 17 years ago
Jakarta POI (PDF support)	nina as vedina	More...				over 17 years ago
Export tree as PDF file	nina as vedina	More...				over 17 years ago
generic smarts support bug fix	nina as vedina	More...				over 17 years ago
update to the code allowing to work with different smarts parsers	nina as vedina	More...				over 17 years ago
Fixed bug when updating condition of RuleVerifyProperty	nina as vedina	More...				over 17 years ago
update to the code allowing to work with different smarts parsers	nina as vedina	More...				over 17 years ago

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