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. Author manuscript; available in PMC: 2016 Feb 23.
Published in final edited form as: J Chem Inf Model. 2015 Feb 6;55(2):407–420. doi: 10.1021/ci500691p

Table 1.

Correspondence between FragMap features and pharmacophore features used in SILCS-Pharm.

FragMaps and FragMap features Pharmacophore featuresa
APOLAR (AROM+ALIP) AROM|ALIP
HBDON -
HBACC HBACC
POS -
NEG NEG
AROM AROM
ALIP ALIP
HBDONp HBDON
POSp POS
MEOO -
MEOH -
FORN -
a

Only basic pharmacophore features are shown here for hydrogen bond donor and acceptors, donor and acceptor joint pharmacophore features are also available as described in the text.