Future Directions

RSN:

• 4.62

To do in the next year

• Depict
  • Better/adjustable ruleset
  • JavaDepict implementation
  • Depiction server?

• Chirality
  Finalize algorithm for "hard" chiralities:
  • Pseudo chirality
  • Cis-trans ring chiralities
  • Extend DBO notation
  • Relative stereochemistries

• 4.7
  • Optimized for 64-bit, largefiles, etc.
  • Complete DCGI: database interfaces including reaction DB's
  • Full port to Linux?
  • Toolkits: Windows DLL, Macintosh SO?
  • v5.0 evolutionary not revolutionary, dt_ interface supported

• Chemistry Cartridge
  • Finalize feature set, cost-based optimizer, SQL+ mapping
  • Figure out usable architectures (-SGI, +Linux?)
  • Figure out a workable business arrangement
  • Release it!

• New Office
  • Lots of room, lots of power, lots of bandwidth
  • Facilities for visitors

But probably not:

• Patent structure searching

New projects:

• BBACD
  • Catalog collection
  • Unified format
  • Automate as much as possible
  • Low price, high availability
  • Web server?
  • Thanks GW-John, could use help from others!

• Tautomer toolkit/utility
  • Certainly toolkit-based
  • Probably based on SMIRKS ruleset
  • Possibly server-oriented
  • Frame as part of larger normalization package?
  • Zeneca Peter's

And don't forget:

• Summer School
  Probably at St. John's, probably end of July

• EuroMug '99
  Location not set, probably in early October

• Mug '00 ("Mug-aught-aught")
  Same time, same place next year? Or elsewhen, elsewhere?
  Same schedule and format? Comments?