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Published in 2020 at "Chemometrics and Intelligent Laboratory Systems"
DOI: 10.1016/j.chemolab.2019.103915
Abstract: Abstract Colourgrams GUI is a graphical user-friendly interface developed in order to facilitate the analysis of large datasets of RGB images through the colourgrams approach. Briefly, the colourgrams approach consists in converting a dataset of…
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Keywords:
graphical user;
analysis;
gui graphical;
user friendly ... See more keywords
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Published in 2022 at "Bioinformatics"
DOI: 10.1093/bioinformatics/btab771
Abstract: SUMMARY Deep learning (DL) can significantly accelerate virtual screening of ultra-large chemical libraries, enabling the evaluation of billions of compounds at a fraction of the computational cost and time required by conventional docking. Here we…
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Keywords:
deep learning;
chemical libraries;
gui graphical;
large chemical ... See more keywords