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Design and Evaluation of a Novel Class-Directed 2D Fingerprint to Search for Structurally Diverse Active Compounds.
Hanna Eckert
Jürgen Bajorath
Published in:
J. Chem. Inf. Model. (2006)
Keyphrases
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design process
knowledge based systems
case study
search algorithm
search efficiency
user studies
wide variety
formative evaluation
assessment tool
evaluation model
search strategy
real world
evolutionary algorithm
user interface
search space
information systems
learning algorithm