Introduction

1. BACKGROUND

A significant bottleneck remains in the drug discovery procedure, in particular in the later stages of lead discovery, is analysis of the ADME and overt toxicity properties of drug candidates. Over 50% of the candidates failed due to ADME/Tox deficiencies during development. To avoid this failure at the development a set of in vitro ADME/Tox screens has been implemented in most pharmaceutical companies with the aim of discarding compounds in the discovery phase that are likely to fail further down the line. Even though the early stage in vitro ADME reduces the probability of the failure at the development stage, it is still time-consuming and resource-intensive. Therefore, we describe a new web-based application called PreADMET, which has been developed in response to a need for rapid prediction of drug-likeness and ADME/Tox data.

2. PUBLICATIONS

• S.K.Lee, G.S.Chang, I.H.Lee, J.E.Chung, K.Y.Sung, K.T.No, “The PreADME: PC-BASED PROGRAM FOR BATCH PREDICTION OF ADME PROPERTIES“, EuroQSAR 2004, 2004, 9.5-10, Istanbul, Turkey.
• S.K.Lee, I.H.Lee,H.J.Kim, G.S.Chang, J.E.Chung, K.T.No, “The PreADME Approach: Web-based program for rapid prediction of physico-chemical, drug absorption and drug-like properties“, EuroQSAR 2002 Designing Drugs and Crop Protectants: processes, problems and solutions, 2003, pp. 418-420. Blackwell Publishing, Massachusetts, USA.

Related information:

• Article reported on May 4, 2004 by Korea Electronic Times: The first available commercial package PreADME for drug discovery
• e-drug Discovery symposium : “Symposium presentation of PreADME” (May 2003)

3. ANNOUNCEMENT

The PreADMET website became one of the most popular sites by Cheminformatics.org. The PreADME (PC-based version 1.0) was also released successfully as a commercial software package in 2004. We are releasedthe next version, PreADMET 2.0, with more powerful functions.