About RxnFinder



User visible changes in RxnFinder 1.2

Query Tab

Queries

  • file > export query user can change name of save query
  • new, save should now work 'as expected', several bugs fixed
  • send feedback form improved, checks input, choice for attaching query should now be better understandable
  • query form
    • show query field affiliation (Reaction Structure, Molecule Structure, etc.)
    • show info when all query fields are removed
    • reordered mol structure search options (role <-> search type)
    • 'contains' search in mol formula now possible (e.g. "Pd")
    • author search: search for "lastname, *" possible (e.g. "Xia, *")
    • journal search: substring search, ('journ' finds 'European Journal of Organic Chemistry')
    • molecule structure and property search: role 'any'
    • fulltext: wildcard search

Saved Queries

  • saved queries could be exported and imported (via *.rxf file)
  • show number of rows, created & last modified date (mouseover)

Results Tab

Result set

  • all molecules are clickable => molecule options menu molecules could be used to create new queries, or be exported as molfile
  • reaction arrows are clickable => reaction options menu (rxns could be shown enlarged, exported as rxn file, used as new query)
  • transfer rxn to.. new menu: clipboard, selected hits, saved reactions
  • open article:
    inform that redirection is in progress
  • reaction scheme:
    split into parts to improve browser behavior (esp. old IE, slow systems, 'script does not respond' message)
  • filtered result sets could be executed as new search without detour via query tab
  • display commercial availability of substances + link to emolecules

Cluster Analysis

  • first cluster is loaded *after* query result is shown, other clusters are loaded on demand (when opened)
    => quicker result display, improved browser behavior (no freeze while parsing large result sets, esp. old IE, slow systems, 'script does not respond' message)
  • catalyst, reagent, solvent:
    show catalyst/reagent/solvent structures on mouse over

Details Tab

  • all molecules are clickable => molecule options menu (see Result set)
  • reaction arrows are clickable => reaction options menu (see Result set)
  • molecules scaling improved
  • save pdf
  • transfer rxn to.. new menu: clipboard, selected hits, saved reactions
  • clear clipboard
  • show what list is browsed (results, retrorxn, selected hits)
  • navigation in different rxn paths (A,B..)

RetroRxn Tab

  • rxn display: see Result set
  • molecules scaling in history improved

Selected Hits

  • rxn display: see Result set
  • 'show details' works now
  • save > export / export selected all / selected rxns could be exported as *.rxf file

Saved Reactions

  • file > export / import
    selected rxns lists could be exported and imported as *.rxf file
  • should now work 'as expected', several bugs fixed
  • rxnlist could be appended to selected hits

Save PDF

  • format of created pdf could be chosen between A4 and Letter

PDF

  • scheme breaks at page end
  • scheme display quality improved (higher resolution)
  • rxn display quality improved (higher resolution)
  • molecule (reactants, product, catalyst, solvent) display quality improved (higher resolution)
  • link variation back to rxnfinder