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QUIMIOINFORMÁTICA: UMA INTRODUÇÃO
- Source :
- Química Nova v.41 n.2 2018, Química Nova, Sociedade Brasileira de Química (SBQ), instacron:SBQ, Química Nova, Vol 41, Iss 2, Pp 202-212
- Publication Year :
- 2018
- Publisher :
- Sociedade Brasileira de Química, 2018.
-
Abstract
- Cheminformatics is an interdisciplinary field between chemistry and informatics, which has evolved considerably since its inception in the 1960s. Initially, the cheminformatics community dealt primarily with practical and technical aspects of chemical structure representation, manipulation, and processing, while modern research explores a new role: the exploration and interpretation of large chemical databases and the discovery of new compounds with desired activity and safety profiles. Despite the recent release of several hallmark reviews addressing methods and application of cheminformatics written in Portuguese, so far there are no scientific articles presenting cheminformatics research to the Brazilian scientific community yet. To address this gap, we aim to introduce the field of cheminformatics to both students and researchers in a simple and didactic way by narrating important historical facts and contextualizing information within the scope of various applications.
- Subjects :
- 0301 basic medicine
Quantitative structure–activity relationship
Virtual screening
Chemistry
QSAR
chemical similarity
cheminformatics
General Chemistry
Computational biology
Chemical similarity
structure representation, property prediction
virtual screening
01 natural sciences
0104 chemical sciences
lcsh:Chemistry
010404 medicinal & biomolecular chemistry
03 medical and health sciences
030104 developmental biology
lcsh:QD1-999
Cheminformatics
Subjects
Details
- Language :
- Portuguese
- Database :
- OpenAIRE
- Journal :
- Química Nova v.41 n.2 2018, Química Nova, Sociedade Brasileira de Química (SBQ), instacron:SBQ, Química Nova, Vol 41, Iss 2, Pp 202-212
- Accession number :
- edsair.doi.dedup.....4907fa5b87d6319353719b788d6d6897