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Chemical-Reactivity Properties, Drug Likeness, and Bioactivity Scores of Seragamides A-F Anticancer Marine Peptides: Conceptual Density Functional Theory Viewpoint.
Norma Flores-Holguín
Juan Frau
Daniel Glossman-Mitnik
Published in:
Comput. (2019)
Keyphrases
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drug discovery
viewpoint
chemical compounds
mass spectrometry
virtual screening
pharmaceutical industry
early stage
discovery process
physico chemical
amino acids
multiple views
computational model
mass spectrometry data
scientific data
desirable properties
drug design
social networks
data mining