MEDEA: A data mining solution for ADME/Tox prediction.

MEDEA uses an artificial intelligence system based on evolutionary computation. Once MEDEA is trained, it is able to predict with a high degree of precision ADME/Tox properties of new compounds. In addition, MEDEA provides reasons for its predictions, which is achieved by the data mining platform on which MEDEA is based.

MEDEA uses an evolutionary algorithm to generate rules based on physico-chemical and structural properties of a training set. The obtained rules give insights to common properties of toxic and non-toxic compounds. Such knowledge allows medicinal chemists to avoid molecules with common toxic properties in further design rounds. The presented strategy is known as knowledge extraction.

For more information about MEDEA, please send a message to info@intelligentpharma.com.