A Spanish Chemoinformatics GitBook for Chemical Data retrieval and Analysis using Python Programming

12 January 2024, Version 1


Searching, retrieving, and analyzing chemical information is one of the main tasks faced by students and professionals in chemistry-related scientific disciplines. Currently, freely available modules developed in programming languages, such as Python, allow efficient data management and facilitate obtaining information and knowledge from the data. This manuscript describes an electronic handbook generated on the GitBook platform to introduce the Python programming language and the Analysis, computational representation, and visualization of chemical data. This manual explores the most common molecular representations of low molecular weight organic compounds and their applications in various contexts. It also illustrates the acquisition of chemical information from large public molecular databases such as ChEMBL and PubChem and the Analysis and visualization of chemical information using concepts such as chemical space. The GitBook is freely available and is expected to foster open science and facilitate learning for chemistry students at the undergraduate and graduate levels and professionals interested in chemical data analysis and visualization.


Scientific Education
Latin America
Spanish-speaking community
Open science


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