WP3

Chemioinfo, ADME-tox properties evaluation and validation

1. Calculate molecular properties of compound libraries including ADME –tox in silico studies

2. Measure molecular properties (pK, logP, solubility, membrane permeability, Ligand efficiency, promiscuous inhibition properties, albumin binding…).

3. Data analysis, scoring the experimental versus in silico data, comparative scoring, software implementation through appropriate algorithm.

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LIGands to interfere with Human TS - LIGHTS is a STREP project within the 6FP. Lights is focused on ovarian cancer and carried
out by a consortium of six partners: University of Modena and Reggio Emilia (I) - University di Paris Sud (FR)
European Media Laboratories (D) - Molecular Discovery (I) - Naxospharma (I) - University of California San Francisco (UCSF)

 
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