Release Notes

New features and Changes in HintLogP 3.06

  1. HintLogP 3.06 (standalone) was compiled on several platforms:
  2. This version of HintLogP was built from an all-new library of HintLogP functionality that we have been developing over the last 12-15 months. The new core algorithms are written in standard C in a toolkit structure. This enables us to much more quickly develop new HintLogP applications to respond to user needs, and also allows us to distribute to interested customers the means to develop their own Hint and/orHintLogP applications. See the eduSoft LC Developers' Toolkits web page for more information.

  4. The goal of this release of the HintLogP standalone program was to streamline its design, usage and speed, and to drop anything from the executable that was not meeting those goals.

  6. The standalone HintLogP program is now linked to the Daylight "smiles" toolkit and "OElib" from OpenEye Scientific Software. The former is the acknowledged standard for interpretation of the SMILES format, but does require the purchase of a "smiles" run-time license from Daylight. We can recommend licensing and use of the Daylight smiles license without reservation. OElib is currently an "open source" library from OpenEye and requires no further licensing. Our tests of OElib indicate that it is a very robust structure interpreter. However, be advised that there may be differences between OElib interpretations, and Daylight interpretations of the same structure, particularly if that structure contains unstaurated or aromatic heterocyles. For instance, many heterocyclic compounds can be interpreted with multiple resonance structures, and the chemical "intuition" of the structure interpreter can reflect these differences.

  8. The options for running HintLogP are coded in a simple "keyword" context, input into the program as a control file. See Using HintLogP for a description of the keywords and their meanings.

  10. Operation of HintLogP for all platforms is now through command line input: hintlogp <control file> <input datafile> <output datafile>.  See Using HintLogP for more information.