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CASTELO: Clustered Atom Subtypes aidEd Lead Optimization - a combined machine learning and molecular modeling method.
Leili Zhang
Giacomo Domeniconi
Chih-Chieh Yang
Seung-gu Kang
Ruhong Zhou
Guojing Cong
Published in:
CoRR (2020)
Keyphrases
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modeling method
machine learning
global optimization
hybrid genetic
van der waals
optimization algorithm
fuzzy neural network
fusion model
high speed railway
pattern recognition
multi objective
data mining
computer vision
data analysis
expert systems
optimization method