putting the focus on ADMET properties

CSHIA  ... Human Intestinal Absorption Predictor

TM

“Outstanding”        ...best describes CSHIA

External Validation Test Results...

On external validation with a test set of 195 drugs, 92% of predictions were within 25% of the experimental value and the overall MAE was 11%.  Data from 612 drugs was used in the model development proess.

Continuous Percent Oral Absorption Values…

CSHIA is not a binary predictor. It outputs predicted oral absorption in the range from 0 to 100% and does not depend on the NEC’s molecular fragment

Output...

     SDF or CSV or XLS to handle large datasets in batch processing.

Leading-edge descriptors...

ChemSilico models are developed from a database of 158 proprietary descriptors along with 350 well-known topological and E-state descriptors

Please visit the information pages

about our CSHIA predictor

CSHIA  Introduction

CSHIA  Experimental

CSHIA  Dataset Profile

Methods and Descriptors

HIA Predictor Comparison

View a PDF a Pre-print
about CSHIA

Seeing is Believing

To register or login for a Free Trial

of our property predictors

search
links
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.