MUG '98 -- 12th Annual Daylight User Group Meeting -- 24 February 1997

Physical Property Calculation: A Web Browser Application

Mark Bures, Yvonne Martin, Isabella Lico,
Elizabeth Danaher, Jerry Delazzer, Robert Brown (MSI)
Abbott Laboratories, D-47E, AP10, 100 Abbott Park Rd., Abbott Park, IL 60064-3500


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.

Demo Snapshots

Daylight Chemical Information Systems, Inc.