Toxtree-2.6.0

Toxtree-v2.6.0 is a stable release including 2 new plugins, new features and bug fixes.

Toxtree 2.6.0 is distributed with Java 7 installer

Toxtree-2.5.4

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-2.5.1

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-2.5.0

Toxtree-v2.5.0 is a stable release including 2 new plugins, 2 improved plugins, new features and bug fixes.

Toxtree 2.5.0 SMARTCyp module screenshot

Toxtree-2.2.0

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

Toxtree 2.1.0 is released July 2010, and includes 3 new plugins and several bug fixes.

Toxtree-v1.60

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-v1.51

  • Toxtree 1.51 at JRC Computational Toxicology
    • build date 26 Jun 2008
    • Windows installer
    • ZIP archive
    • Installation manual
    • User manual

Toxtree-v1.20

  • Toxtree 1.20 at SourceForge
  • Change log
    • build date 11 Mar 2007
    • 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;

Previous versions