Combined Bachelor's + Master's degree in Medicine and Surgery

Toxicological screening in acute/lethal poisoning cases: chemoinformatic analytical applications  (Corso Elettivo)

Course code
Name of lecturer
Aldo Eliano Polettini
Aldo Eliano Polettini
Number of ECTS credits allocated
Academic sector
Language of instruction
1° semestre dal Oct 1, 2020 al Dec 23, 2020.

Lesson timetable

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Learning outcomes

The continuous introduction of new drugs into the illicit market (1 per week on average according to EMCDDA, the European Drug Agency) has put in crisis the traditional approach to toxicological screening, based on the comparison between the analytical features of an unknown substance (retention time, mass spectrum) with those contained in reference databases, whose updating is slower than necessary. The course aims to illustrate the chemoinformatics strategies, borrowed from the so-called drug-design (combinatorial chemistry, chemometry, development of predictive models), useful for predicting new illicit substances of abuse and their analytical characteristics, so as to allow their potential identification even before they are placed on the illicit market.


Toxicological screening in cases of acute poisoning: traditional techniques and strategies
Prediction of new chemical structures: combinatorial chemistry
Development of models for predicting chromatographic retention
Development of models for predicting mass spectra
Integrated chemoinformatic approach to toxicological screening

Reference books
Author Title Publisher Year ISBN Note
Polettini Diapositive delle lezioni 2020

Assessment methods and criteria

Lectures will be delivered electronically in offline remote mode (Powerpoint slides with audio commentary, recorded in Panopto; lectures will be available on the course web page within the teaching platform).

PLEASE NOTE: Credits will be granted upon checking full attendance of all lectures by means of Panopto tools.
Please exit the lecture webpage correctly at the end of it, so that the software will register your attendance.

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