Databases and Cheminformatics Fundamentals
A.Y. 2025/2026
Learning objectives
The course aims to introduce and use some databases in chemistry, with particular reference to organic chemistry and to provide students with the basic concepts and the general principles of chemoinformatics.
Expected learning outcomes
Students will acquired the ability to:
· manage and extract chemical information contained in different databases
· read and modify the most common electronic formats of chemical structures (SMILES, SDF, MOL, PDB)
· recognize and calculate the most common molecular descriptors
· build and evaluate and multivariate models
· set up and analyze a conformational analysis calculation
· prepare and set up a virtual screening workflow
· manage and extract chemical information contained in different databases
· read and modify the most common electronic formats of chemical structures (SMILES, SDF, MOL, PDB)
· recognize and calculate the most common molecular descriptors
· build and evaluate and multivariate models
· set up and analyze a conformational analysis calculation
· prepare and set up a virtual screening workflow
Lesson period: Second semester
Assessment methods: Esame
Assessment result: voto verbalizzato in trentesimi
Single course
This course can be attended as a single course.
Course syllabus and organization
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Responsible
The lessons will take place synchronously using Microsoft Teams
The material will be available on MyAriel (slides)
The material will be available on MyAriel (slides)
Course syllabus
Course borrowed from another programme of study. You can consult the programme here: https://www.unimi.it/en/education/degree-programme-courses/2026/databases-and-elements-chemoinformatics
Professor(s)
Reception:
Chemistry Dep., building 5B, 3rd floor, room 3021