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How Accurately Can We Predict the Melting Points of Drug-like Compounds?
Igor V. Tetko
Yurii Sushko
Sergii Novotarskyi
Luc Patiny
Ivan Kondratov
Alexander E. Petrenko
Larisa Charochkina
Abdullah M. Asiri
Published in:
J. Chem. Inf. Model. (2014)
Keyphrases
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drug discovery
chemical compounds
feature points
experimental data
point sets
artificial intelligence
information systems
optical flow
data points
convex hull
pharmaceutical industry