Computer system and method for calculating adme properties

Details Computer system and method for calculating adme properties Computer system and method for calculating adme properties

G - Physics

01

N

G01N 33/48 (2006.01) B01J 19/00 (2006.01) G01N 31/00 (2006.01) G01N 33/50 (2006.01) G06F 17/00 (2006.01) G06N 3/00 (2006.01) G06F 19/00 (2006.01)

Patent

CA 2469388

The invention relates to a computer system and a method for calculating an ADME property of a substance, which comprises the following steps: a. input of molecular properties of said substance into a biophysical model, whereby said biophysical model describes a correlation between the molecular properties and the ADME property and b. output of the ADME property.

L'invention concerne un système informatique et un procédé de calcul d'une propriété d'absorption, de distribution, de métabolisme et d'excrétion (ADME) d'une substance, lequel procédé comprend les étapes suivantes : a. introduction de propriétés moléculaires de ladite substance dans un modèle biophysique, décrivant une corrélation entre les propriétés moléculaire et la propriété ADME, et b. sortie de la propriété ADME.

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