November, 17th and 18th, 2022

VIRTUOUS Transfer of Knowledge Workshop: Platform Evaluation and Demo Presentation

Machine learning meets molecular dynamics for taste prediction

Summary of the Workshop

The EU MCSA VIRTUOUS project aims to create a virtual tongue through an integrated computational framework able to screen food for natural ligands targeting taste receptors. VIRTUOUS integrates drug discovery techniques, big-data and machine learning algorithms to predict the organoleptic profile of Mediterranean ingredients based on their chemical composition. Recent developments in the VIRTUOUS project will be presented in the workshop, ranging from new algorithms for advanced modelling simulation, machine learning tools to identify the most relevant descriptors affecting compounds’ taste, and standardized procedures for sensory analysis of virgin olive oils. New results on application of artificial intelligence for quality assessment of extra-virgin olive oil from fluorescence spectrum will be shown. Finally, a first DEMO of the Virtuous platform will be presented.

Organizing Committee: Dario Piga, Gianvito Grasso, Vanessa Martos, Marco A. Deriu
Contact: Dario Piga ( ), Gianvito Grasso (
Online participation:
      – Day 1:
      – Day 2:
Rooms: C1.02 (17th November);  A1.02 (18th November).

November 17th 2022

Room C1.02
08:45 > 09:00
Prof. Marco Deriu (POLITO)
Dr. Dario Piga (SUPSI)
09:00 > 9:45
Virtual Screening for Small Molecule Design and Discovery: from Machine Learning to Advanced Molecular Simulation Techniques
Dr. Gianvito Grasso (SUPSI)
09:45 > 10:15
Coffee break
10:15 > 11:15
Machine learning for classification of sweeteners/bitterants compounds (methodology)
Dr. Dario Piga (SUPSI)
11:15 > 12:15
Machine learning for classification of sweeteners/bitterants compounds (hands-on session)
Dr. Gabriele Maroni (SUPSI)
12:15 > 14:00
Lunch break
14:00 > 14:30
Sensory Analysis of Virgin Olive Oils
Prof. Vanessa Martos (UGR)
14:30 > 15:15
Taste GPCRs and their ligands: learning from data, big and small
Prof. Masha Niv (HUJI)
15:15 > 15:45
Coffee break
15:45 > 16:15
Fluorescence Spectroscopy with Machine Learning for Rapid Quality Assessment of Extra-Virgin Olive Oils
Dr. Manas Mejari (SUPSI)
16:15 > 16:45
Advanced machine learning for Innovative Drug Discovery – the H2020 MSCA AIDD project
Dr. Michael Wand (SUPSI)
16:45 > 17:15
Feedback from the audience
Moderator: Dario Piga
Closure of Day 1

November 18th 2022

Room A1.02
08:45 > 09:30
VIRTUOUS: where we are and where we are going
Prof. Marco Deriu (POLITO)
09:30 > 10:00
Extraction of physicochemical properties from the fluorescence spectrum with 1D convolutional neural networks: Application to olive oil
Dr. Umberto Michelucci (Toelt)
10:00 > 10:30
Coffee break
10:30 > 11:15
Insight into the Virtuous Platform: design and implementation of a user-friendly web service to predict the organoleptic profile of the Mediterranean ingredients
Lorenzo Pallante (POLITO)
11:15 > 11:45
Feedback from the audience
Moderator: Dario Piga
Closure of WORKSHOP
12:00 > 13:30
Executive board meeting
All project partners
Closure of Day 2