Toxtree is distributed with Java 6 installer. Please use Java 6 even if you have Java 7 already installed. There is a known problem, causing instability, when using Java 7. This will be fixed starting with Toxtree 2.5.8
Toxtree-v2.5.4 is a bug fix release
- ZIP archive (source and executable, platform independent)
- Change log
- build date 02 Apr 2012
- added new plugin Protein binding
- updated CDK to v1.4.8;
- updated JChemPaint to v3.3.0;
- updated to jre-6u31-windows-i586;
- fixed bug 3493804 (Different results between 2.5.0 and earlier versions);
- fixed bug 3493431 (Cramer Rule 20 behaviour);
- fixed bug 3492853 (Some compounds not found in bodymol.sdf);
- fixed bug 3491753 (Non serializable exception in CYP450 module);
- fixed bug 3488950 (Cramer2 Q42 rule);
- fixed bug 3472325 (Micronucleus plugin SA34 rule);
- fixed bug 3431053 (Incorrect structure of protoheme in bodymol.sdf);
- fixed bug 3396489 (Name of the "skin sensitization alerts" plugin changed);
- fixed bug 3089700 (Cramer2 rule 4);
- fixed bug 3089699 (Cramer2 rule 40);
- updated installation and user manual;
- updated README.
- Source code
- Maven repository
Toxtree is distributed with Java 6 installer. Please use Java 6 even if you have Java 7 already installed. There is a known problem, causing instability, when using Java 7. This will be fixed starting with Toxtree 2.5.8
Toxtree-v2.5.1 is a bug fix release
- ZIP archive (source and executable, platform independent)
- Change log
- build date 3 Feb 2012
- corrected Schiff base SMARTS;
- fixed ionic bonds matching;
- fixed explanation for RuleAliphaticWithSomeFuncGroups in Cramer rules and Extended Cramer rules;
- fixed recognition of carbonyl in amide group, affecting Q18 and Q20 of Cramer rules;
- included jre-6u30-windows-i586.exe in Windows installer;
- updated manuals and README;
- Source code
- Maven repository
Toxtree-v2.5.0 is a stable release including 2 new plugins, 2 improved plugins, new features and bug fixes.
Toxtree 2.2.0 is a library upgrade and bug fix release.
- Change log
- build date 25 Oct 2010
- updated to cdk 1.3.6 and jni-inchi 0.7;
- updated to jchempaint-3.1.3;
- fixed not working Edit/Preferences;
- removed valency labels that were appearing in JChemPaint by default;
- fixed rendering of disconnected structures (e.g. salts);
- fixed Cramer rule Q3 - Sulphur in aromatic ring is now recognized as divalent;
- included jre-6u22-windows-i586.exe in Windows installer;
- upgraded to Java 1.6;
- upgraded to OpenBabel v2.2.3;
- fixed SMILES parsing (OpenBabel v2.2.3);
- enabled InChI-to-structure conversion based on jni-inchi-0.7-std;
- enabled name-to-structure conversion based on OPSIN v0.8.0;
- fixed outcome from QSAR8;
- values "true" and "false" in input file will be parsed into 1 or 0;
- fixed batch processing "Non serializable exception" for micronucleus and skin sensitiation plugins;
- added check for phosphates in Q4 of Cramer Extended rules;
- updated manuals and README.
- Source code
Toxtree 2.1.0 is released July 2010, and includes 3 new plugins and several bug fixes.
Toxtree 1.60 includes 4 new plugins and several bug fixes.
- Change log
- build date 15 Jul 2009
- added Cramer rules with extensions plugin and updated bodymol.sdf;
- added Structure Alerts for the in vivo micronucleus assay in rodents plugin;
- added START biodegradation and persistence plugin;
- added Structural Alerts for identification of Michael Acceptors plugin;
- Skin irritation plugin: fixed bugs in rules Q52 and Q53;
- Cramer rules plugin: fixed bugs in Q8 and Q21;
- Begnini/Bossa rulebase plugin: fixed issue when results for structural alerts (e.g. SA10) are not displayed if the outcome is YES;
- Begnini/Bossa rulebase plugin: QSAR8 question rephrased, to avoid confusion;
- fixed issue when editing an example in the decision tree editor was not working;
- introduced TOXTREE environment variable, which should be set to point to the Toxtree-version.jar and helps locating SDF files and plugins when Toxtree is used by third party software;
- fixed issue when after creating a new tree it could not be saved.
- Toxtree 1.51 at JRC Computational Toxicology
- build date 26 Jun 2008
- Windows installer
- ZIP archive
- Installation manual
- User manual
- Toxtree 1.20 at SourceForge
- Change log
- added global options for skin irritation rules (in addition to rule specific options);
- added "Silent" option for skin irritation property rules (the answer of the property rule will always be "No" if a property is missing);
- improved implementation of Verhaar scheme Class 4;
- fixed error when writing SMARTS rule to .tree file;
- updated installation manual;
- updated user manual;
- updated README;
