Subject: ANNC: Schrodinger hosts Accurate ADME Property Prediction Seminar

From: Schrodinger Info account <[email-masked]>
Date: Tue, 20 Jun 2000 13:33:37 -0700 (PDT)

Schrodinger, Inc. is pleased to announce two seminars describing our
state-of-the-art tools for accurate ADME property prediction to be
held in Sand Diego and Mountain View on July 25th and 26th.

Prediction of absorption, distribution, metabolism, and excretion
(ADME) properties, such as logPo/w, logS, Caco-2, and logBB, is
becoming increasingly important in the process of selecting drug
candidates for binding in a receptor binding pocket.  Acidity and
basicity can have profound effects upon chemical and physical
properties. In the drug discovery process, pKa estimation plays an
important role in predicting ADME properties of medicinal compounds.

The seminar will illustrate key synergies among Schrodinger's software
products.  The first-principles based pKa Predictor in Jaguar was
developed to provide accurate predictions of pKa while explicitly
addressing conformational effects.  A new property prediction program,
QikProp (developed by Bill Jorgensen, Yale University), has both the
speed and the accuracy to efficiently predict values for physically
significant descriptors and pharmaceutically relevant properties of
neutral organic molecules.

    Tuesday, July 25, 2000
    9:30AM - 3:30 PM
    SGI - San Diego, CA

    Wednesday, July 26, 2000
    9:30AM - 3:30 PM
    SGI - Mountain View, CA

If you have any questions or comments, or to register, please see our
website at http://www.schrodinger.com, or contact Leo Brown (email:
[email-masked], phone at +1 630 752-9047).