CompuDrug was founded in 1983 as one of the first chemical software companies. Since 1985, it has been focusing on developing systems for the prediction of ADMETox related parameters by using knowledge-management approaches.
During its first decade of operation, CompuDrug released a number of software programs which were the first in the field of application, and to date, are still considered an industry standard.
The first in line was PrologP, the first program calculating logP hydrophobicity values using Rekker’s fragmental approach. This was followed in 1987 by MetabolExpert, the first software to provide metabolic profiling for drug candidates. Based on a commission by the US Environmental Protection Agency, in 1988, CompuDrug developed HazardExpert, the first knowledge management system for predicting toxic symptoms in humans upon contact by xenobiotics or administering drug candidates.
In the 90’s, CompuDrug pioneered with the development of the world’s first software program for predicting acidic or basic dissociation values (Pkalc, 1992), and again with the first software for estimating the true hydrophobicity value, logD (PrologD, 1994).
In 1993, CompuDrug introduced the Pallas system to incorporate its ADME and discovery-related software in a single frame.
In 1995, CompuDrug was invited to participate in the EMIL Workgroup, a Japanese consortium founded by Professor Toshio Fujita. Aside from Fujitsu, Inc., 14 other Japanese pharmaceutical and agrochemical corporations were involved. This workgroup developed a drug discovery software and database which provides medicinal chemists a serendipity enhancer knowledge managing expert system. This system is presently being used extensively for lead optimization.
More than 2000 clients globally have used and are using CompuDrug’s software solutions since 1983.