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| Name | Modified | Size | Downloads / Week |
|---|---|---|---|
| Parent folder | |||
| README.txt | 2013-12-27 | 4.4 kB | |
| ambit2-tautomers-2.5.3.jar | 2013-12-27 | 53.4 kB | |
| ambit2-some-2.5.3.jar | 2013-12-27 | 23.6 kB | |
| ambit2-smi23d-2.5.3.jar | 2013-12-27 | 1.8 MB | |
| ambit2-smarts-2.5.3.jar | 2013-12-27 | 166.4 kB | |
| ambit2-rest-2.5.3.jar | 2013-12-27 | 202.6 kB | |
| ambit2-rendering-2.5.3.jar | 2013-12-27 | 43.9 kB | |
| ambit2-namestructure-2.5.3.jar | 2013-12-27 | 6.2 kB | |
| ambit2-pubchem-2.5.3.jar | 2013-12-27 | 81.8 kB | |
| ambit2-mopac-2.5.3.jar | 2013-12-27 | 1.7 MB | |
| ambit2-model-2.5.3.jar | 2013-12-27 | 126.2 kB | |
| ambit2-loom-2.5.3.jar | 2013-12-27 | 5.5 kB | |
| ambit2-jchempaint-2.5.3.jar | 2013-12-27 | 14.3 kB | |
| ambit2-dragon-2.5.3.jar | 2013-12-27 | 65.5 kB | |
| ambit2-descriptors-2.5.3.jar | 2013-12-27 | 230.9 kB | |
| ambit2-db-2.5.3.jar | 2013-12-27 | 966.5 kB | |
| ambit2-core-2.5.3.jar | 2013-12-27 | 366.4 kB | |
| ambit2-chebi-2.5.3.jar | 2013-12-27 | 7.2 kB | |
| ambit2-base-2.5.3.jar | 2013-12-27 | 225.3 kB | |
| ambit2-balloon-2.5.3.jar | 2013-12-27 | 7.3 kB | |
| Totals: 20 Items | 6.1 MB | 0 | |
AMBIT2 2.5.3
CHANGELOG
AMBIT2 2.5.3
http://ambit.uni-plovdiv.bg:8083/nexus/index.html#nexus-search;gav~ambit~~2.5.3~~
ambit2-core: IUCLID5 endpoint study records (via https://github.com/ideaconsult/i5 0.0.4 )
ambit2-descriptors: Descriptor to retrieve OpenPhacts pharmacology count per compound
ambit2-db: Substance endpoint study records support. DB Schema 7.1
ambit2-www: jtoxkit.js for rendering substance endpoint study records
ambit2-www: DEREK friendly SDF export (Options to unify line separators and generate 2D coordinates)
ambit2-www: Improved statistcis resource /admin/stats
ambit2-groupcontribution : new modlule for group contribution methods
AMBIT2 2.5.2
http://ambit.uni-plovdiv.bg:8083/nexus/index.html#nexus-search;gav~ambit~~2.5.2~~
ambit2-db: Substance study support. DB Schema 7.1
ambit2-descriptors: New descriptors
ambit2-www: x-frame-origin headers added
ambit2-www: Substance study pages JSON and UI (makes use of jToxKit)
ambit2-www: i5 dependency 0.0.3
ambit2-sln: Sybyl Line Notation initial commits
AMBIT2 2.5.1
http://ambit.uni-plovdiv.bg:8083/nexus/index.html#nexus-search;gav~ambit~~2.5.1~~
ambit2-www: Security improvements
ambit2-www: JSONP support for /model
ambit2-www: Optional CORS support (allowed.origins property at /ambit2/rest/config/prop)
AMBIT2 2.5.0
http://ambit.uni-plovdiv.bg:8083/nexus/index.html#nexus-search;gav~ambit~~2.5.0~~
ambit2-core: Zip reader classes use File instead of stream where possible, otherwise the zip table of content is not always correct
ambit2-core: Specific parser for SDF file with DEREK predictions
ambit2-namestructure: Upgraded to OPSIN 1.5.0
ambit2-db: Database schema 7.0 (IUCLID5 substances support)
ambit2-db: Database schema 6.8 Chemical landscape / activity cliffs support (see http://toxmatch.sf.net )
ambit2-db: Database schema 6.7 Support for storing structure relations (e.g. tautomers, metabolites)
ambit2-smarts: Fixed a bug in SMARTS writing.
ambit2-smarts: Improved parsing of ring closures
ambit2-www: Status reporting in debug or production mode; uses Freemarker template to generate HTML
ambit2-www: Improved input sanitisation, framed responses are no more allowed; autocomplete off for web forms
ambit2-www: Improved JS broswer compatibility
ambit2-www: Initial support for IUCLID5 substances and substance composition. Uses https://github.com/ideaconsult/i5
ambit2-www: Human readable names for aggregated features in JSON
ambit2-www: JSON serialization for property annotations
ambit2-www: Web services and UI for chemical landscape and activity cliffs ( /qmap and /toxmatch ; see http://toxmatch.sf.net)
ambit2-www: Web service to generate and store tautomers (OpenTox Algorithm API /algorithm/tautomergen )
AMBIT2 2.4.12
http://ambit.uni-plovdiv.bg:8083/nexus/index.html#nexus-search;gav~ambit~~2.4.12~~
ambit2-rendering, ambit2-ui: Fixes a regression where the 2D depiction in swing UI is written on top of the previous molecule
ambit2-db: support for relations between structures (to be used for tautomers, metabolites, additives, impurities, etc.)
ambit2-db: Flag to reuse existing structure record on import
ambit2-db: New tables for fast activity cliffs calculations
ambit2-tautomers: Added code for calculation of average descriptor values based on the tautomer information
ambit2-www: SMILES, InChI, InChI key and formula included in the compound json serialization
ambit2-www: Json serialization for property annotations
ambit2-www: Jsonp support for the /algorithm resource
ambit2-www: Support for /compound/{inchikey} in addition to /compound/{id}
ambit2-www: InChI Key query option /query/compound/inchikey/all?search=INCHIKEY
ambit2-www: Tautomers generation via /algorithm and /model services.
ambit2-www: The tautomers are stored in the DB and can be retrieved via /query/tautomer?dataset_uri=COMPOUNDURI
ambit2-www: Tautomers depict fixed to accept InChI in addition to SMILES
ambit2-db, ambit2-www: Merged ambit-chemspace branch implementing http://www.ncbi.nlm.nih.gov/pubmed/23110534
ambit2-www: Activity cliffs: precomputed g2 counts and activity cliffs ordering by /qmap/{id}
ambit2-db, ambit2-nano: Merged ambit-nano branch implementing support for nano materials via conditional dependency
ambit2-reactions: Initial functionality for retro synthesis
http://ambit.sf.net