putting the focus on ADMET properties

CSLogD   ... a new Log D predictor


CSLogD            it delivers

Based on our powerful LogP and pKa predictors...

Classes of Compounds...

     Monoprotic, diprotic and 12 classes of ampholytes to coverup to 3 pkas per compound.

LogD pH-profiles...

     In range 0-14 with ion-pairing cutoffs for partition coefficients of ionized species.

Leading-edge Descriptors...

     Uses 158 of our proprietary descriptors and 350 well-known topological descriptors.

High External-Validation Accuracy...

    Q2valid = 0.80 on external testing of 86 drugs with MAE = 0.52

Import Results...

Directly to ChemFinder™/ISISBase™/MDL QSAR™  for visualization of compounds via CS-SDF output

Please visit the information pages

about our CSLogD predictor

CSLogD  Introduction

CSLogD  Experimental

Methods and Descriptors

Seeing is Believing

To register or login for a Free Trial

of our property predictors

user login
contact us

To contact us:

Phone: 978-501-0633

Fax: 781-275-5197

Email:  sales@chemsilico.com

Copyright © 2003 ChemSilico LLC All Rights Reserved

Terms and Conditions of Use | Privacy Policy

ChemSilico is a registered trademark of ChemSilico LLC, Tewksbury, MA 01876

ChemFinder™, registered TM of Cambridgesoft.  ISISBase™, MDL QSAR™, registered TMs of MDL Information Systems.