21 maggio ore 13.00, Seminari del DSF: "Enalos Chem/Nano informatics Tools for Drug Discovery and Materials Design"

Quando: 
Martedì, Maggio 21, 2019

Martedì 21 maggio appuntamento con il ciclo di Seminari del DSF: "Enalos Chem/Nano informatics Tools for Drug Discovery and Materials Design".

L'incontro si svolgerà dalle 13:00 alle 13:40 in aula seminari al II piano di l.go Donegani 2 (ex Wild).

Il talk è tenuto da Antreas Afantitis (NovaMechanics Ltd, Nicosia, Cyprus).

Abstract:

The success of drug discovery as well as chemoinformatics-aided material design significantly depends on the success of in silico methods and tools to process, integrate, analyze and interpret chemical and biological data and properties. The need for efficient data mining and analysis has become very intense especially after the increasing volume of data produced from High Throughput Screening (HTS) experiments. This is a demanding procedure for which various tools must be combined with different input and output formats. To automate the data analysis required we have developed the necessary tools to facilitate a variety of important tasks to construct workflows that will simplify the handling, processing and modeling of chem/nano informatics data and will provide time and cost efficient solutions, reproducible and easier to maintain. To address this emerging need NovaMechanics Ltd has developed and integrated within Enalos informatics platform a wide range of Chem/Nano tools, functional within Cloud, KNIME and standalone platform, dedicated to the informatics analysis of chemical and nano data and their corresponding activity/properties. The application of these state of the art chem/nano informatics tools for the development of nanoinformatics models and an in silico drug discovery pipeline for the identification, virtual screening, lead identification and optimization of novel inhibitors as well as the novelty, patent and commercial availability search will be presented.

Ultimo aggiornamento: 16/05/2019 - 08:59