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Drug-like Bioactive Structures and Conformational Coverage with the LigPrep/ConfGen Suite: Comparison to Programs MOE and Catalyst.
I-Jen Chen
Nicolas Foloppe
Published in:
J. Chem. Inf. Model. (2010)
Keyphrases
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set of test cases
information technology
coarse grained
neural network
machine learning
case study
expert systems
complex structures
drug discovery