28/01/2020

Doctoral thesis of Kevin Pinto: "Development and Validation of Pharmacoinformatic Similarity-based Tools for the Safety Assessment of Chemicals"

N​ext ​friday 31st of January at ​9:00, ​Kevin Pinto​, member of the ​PharmacoInformatics ​group of GRIB, will read his thesis: ​"Development and Validation of Pharmacoinformatic Similarity-based Tools for the Safety Assessment of Chemicals​"​. The event will take place at the Marie Curie room on the ground floor of PRBB. You are all invited to come. 

Abstract

Despite the investment of vast amounts of money over the last decades, drug discovery and development remains an inefficient process, which can be stopped at different steps, leading to the loss of all resources invested. For this reason, there is an urgent need to develop methods for relating chemical structural information and in vitro bioactivity to toxicity outcomes in early drug development stages. This thesis describes novel in silico prediction methods, using novel similarity metrics and prediction tools adapted to the Chemical Safety Assessment (CSA) of drugs. Their use is illustrated by their application to liver toxicity endpoints. The proposed approach involves five steps: (1) Data collection, (2) best similarity metrics identification, (3) read across similarity validation, (4) QSAR modelling, and (5) implementation.