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MolCompass: multi-tool for the navigation in chemical space and visual validation of QSAR/QSPR models.
Sergey Sosnin
Published in:
J. Cheminformatics (2024)
Keyphrases
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drug discovery
data sets
parameter estimation
statistical model
visual tasks
experimental data
statistical models
indoor environments
data mining tools
visual representations
space time
computational models
software tools
visual effects