Title: Computational aids for assessing bioactivities
Authors : Wolfram, Evelyn
Trifan, Adriana
Published in : Computational Phytochemistry
Pages : 277
Pages to: 300
Editors of the parent work: Sarker, Satyajit
Nahar, Lutfun
Publisher / Ed. Institution : Elsevier
Publisher / Ed. Institution: Amsterdam
Issue Date: 2018
License (according to publishing contract) : Licence according to publishing contract
Type of review: Editorial review
Language : English
Subjects : In vitro bioassays; In silico screening; Databases and data analysis; Bioinformatics; Modelling; Statistical tool; Data mining; Bioprospecting
Subject (DDC) : 572: Biochemistry
Abstract: Bioactivity assessment requires test systems, which are often representative for phenomena in the human body or other target organisms, like microbes. They involve the acquisition of signals, mainly spectrophotometric, or luminometric, in parallel experiments (e.g., microtitre plates) from different concentrations of the test samples and the comparison to blanks and positive controls. In such complex settings, computational aids are needed for the handling, storage, sorting, and visualization of the data and to help to apply suitable mathematical or statistical models to interpret and evaluate the findings and correlate data sets and signals of different origins. In the case of bioactivity assessment of natural products, the complexity of the multicompound mixture in natural extracts and fractions requires computational tools on different levels of the scientific challenge, such as text and data mining, in silico screening by target-ligand docking, as well as chemometrics and multivariate data analysis.
Departement: Life Sciences und Facility Management
Organisational Unit: Institute of Chemistry and Biotechnology (ICBT)
Publication type: Book Part
DOI : 10.1016/B978-0-12-812364-5.00010-9
ISBN: 978-0-12-812364-5
URI: https://digitalcollection.zhaw.ch/handle/11475/6892
Appears in Collections:Publikationen Life Sciences und Facility Management

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