summaryrefslogtreecommitdiff
path: root/lib/compound.rb
AgeCommit message (Expand)Author
2015-08-19name conversion fixedv1.0.0beta1Christoph Helma
2015-08-19hydrogens added for 3d generationChristoph Helma
2015-08-19libfminer rpath fixed, installation instructionsChristoph Helma
2015-08-18initial installation fixes, installs on Debian 3.16.7ch
2015-08-13majority of tests workingChristoph Helma
2015-08-13OpenBabel can (canonical smiles) instead of inchi as internal identifier to a...Christoph Helma
2015-08-10algorithm libraries added, fminer tests passChristoph Helma
2015-08-10transfer to new git project startedChristoph Helma
2015-08-09customized prediction algorithms implementedChristoph Helma
2015-08-07initial k-nn weighted average implementationChristoph Helma
2015-07-31intermediary commitChristoph Helma
2015-07-31descriptor tests workingChristoph Helma
2015-07-27reasonable query performace for data_entriesChristoph Helma
2015-07-22mongo batch import workaroundChristoph Helma
2015-07-19lazar predictions working in principleChristoph Helma
2015-07-18dataset tests passChristoph Helma
2015-07-12initial dataset testsch
2014-10-10fix error msgmguetlein
2013-07-10subjectids partially removedChristoph Helma
2013-07-04Algorithm::Generic and Model::Generic classes.Christoph Helma
2013-07-02Algorithms and Models are modules instead of classes.Christoph Helma
2013-06-19openbabel requirement removed. initial descriptor classes.Christoph Helma
2013-06-10Merge branch 'development' of github.com:opentox/opentox-client into developmentChristoph Helma
2013-06-06commenting cid, chemblid, and match_hitsMartin Gütlein
2013-06-03Merge branch 'development' of github.com:opentox/opentox-client into developmentChristoph Helma
2013-06-03make yard documentation full yard 0.8.6.1 compatiblerautenberg
2013-05-29Merge branch 'development' of github.com:opentox/opentox-client into developmentChristoph Helma
2013-05-29modification date inserted at client to improve performanceChristoph Helma
2013-05-28Replacing tab with two spaces.davor
2013-05-15require openbabelgebele
2013-03-26code cleanup and refactoring.Christoph Helma
2013-01-23url_for removedChristoph Helma
2012-09-11Updated match routinesAndreas Maunz
2012-09-06Added match routinesAndreas Maunz
2012-08-20cached compound representations, initial pubchem and chembl methodsChristoph Helma
2012-08-01task error handling improvedChristoph Helma
2012-07-12all opentox-client tests passChristoph Helma
2012-02-23(partially) switched back to RestClientWrapperChristoph Helma
2012-02-08toxbank-investigation compatible versionChristoph Helma
2012-01-13compound addedChristoph Helma
2011-08-16initial minimal versionChristoph Helma
2010-12-03underscore method added to String classChristoph Helma
2010-11-11first steps towards version 2.0, yard documentation started, passes compound,...Christoph Helma
2010-10-22new API with support for external services (initial version)Christoph Helma
2010-08-05Merge commit 'mguetlein/test' into developmentChristoph Helma
2010-07-22CONFIG reverted to @@configChristoph Helma
2010-07-22modifications from first code review meetingChristoph Helma
2010-07-14model creation working, validation report generation fails for large datasetsChristoph Helma
2010-06-11Added occurrence function 'match_all'ist
2010-05-21dynamic From: address from mailerChristoph Helma