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Tautomer Enumeration and Stability Prediction for Virtual Screening on Large Chemical Databases.
Francesca Milletti
Loriano Storchi
Gianluca Sforna
Simon Cross
Gabriele Cruciani
Published in:
J. Chem. Inf. Model. (2009)
Keyphrases
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virtual screening
chemical structures
databases
drug discovery
similarity searching
chemical compounds
binding sites
high throughput
database
knowledge discovery
similarity search
scoring function
relational databases
data model
multi dimensional
feature selection