cdk blue-obelisk workflow kde inchi jmol chemistry environment phd jchempaint google web cheminf iccs rstats qsar crystal ontology linux java bioclipse svn feeds uml cml math openscience publishing chemometrics bioinfo technorati cb semweb drugdiscovery cdknews iupac nist protein openbabel conference education pdb cif kegg postgenomic junit pmd opensource xml textmining rss taverna strigi kalzium connotea programmeerzomer ghemical oscar debian joelib biology biojava acs bsp knime eclipse javascript rasmol nature blog rdf virus microformat html userscript smiles pubchem quantum javadoc literature citeulike nmr wikipedia opendata eln ambit excel metabolomics openaccess pmrgrantproposal ebi myexperiment chemspider doi uniprot openlab chempedia foaf sparql oxford oxfordadmet2010 science toxicology mcprinciples solo10 chemdoodle cito chebi wordle beilstein chemicaltagger groovy json github cdkbook chembl kasabi openphacts pra3006 rest nanosafety enanomapper opentox orcid wikidata acssandiego swat4ls scholia nanopub solstice altmetrics opencitations nanocommons eunsc data i4oc git bridgedb biohackrxiv markdown pandoc biohackeu12 grant isaac openrisknet eutoxrisk dagstuhl epilipidnet wikipathways lipidmaps mastodon twitter cxsmiles vhp4safety fair ml elixir rom acsfall2023 natprod bigcat covid19 osr24nl wikibase cdk2024 erm ia sr24 bioschemas