MUG '98 -- 12th Annual Daylight User Group Meeting -- 24 February 1997
Physical Property Calculation: A Web Browser Application
Yvonne Martin, Isabella Lico,
Elizabeth Danaher, Jerry Delazzer, Robert Brown (MSI)
Abbott Laboratories, D-47E, AP10, 100 Abbott Park Rd., Abbott Park,
We have developed a web browser interface to several
useful physical property calculation programs: CLOGP and CMR,
prediction of permeability problems via "rule of five",
identification of compounds that may be reactive in HTS,
and enumeration of all possible tautomers and ionization states.
Daylight Chemical Information Systems, Inc.