Class | Description |
---|---|
AliphaticAtom |
This matcher any non-aromatic atom.
|
AliphaticSymbolAtom |
This smarts atom matches aliphatic atom with element symbol specified
|
AnyAtom |
This matcher any Atom.
|
AnyOrderQueryBond |
This matches a bond of any order
|
AromaticAtom |
This matcher any aromatic atom.
|
AromaticOrSingleQueryBond |
This matches an aromatic or a single bond, used when no bond is specified between an atom
|
AromaticQueryBond |
This matches an aromatic bond
|
AromaticSymbolAtom |
This class matches aromatic atom with element symbol specified.
|
AtomicNumberAtom |
This matches an atom using the atomic number.
|
ChiralityAtom |
This matches an atom with chirality property.
|
ConnectionCountAtom |
This matcher checks the total valency of the Atom.
|
DegreeAtom |
This matcher checks the number of connections of the checked Atom
with other Atom's.
|
ExplicitConnectionAtom |
This smarts atom matches any atom with a certain number of explicit
connections.
|
FormalChargeAtom |
This matcher checks the formal charge of the Atom.
|
HybridizationNumberAtom |
This matcher checks the hybridization state of an atom.
|
HydrogenAtom |
This matches Hydrogen atoms.
|
ImplicitHCountAtom |
This matcher checks the number of implicit hydrogens of the Atom.
|
LogicalOperatorAtom |
This class matches a logical operator that connects two query atoms
|
LogicalOperatorBond |
This class matches a logical operator that connects two query bonds.
|
MassAtom |
This class matches an atom based on the atomic mass.
|
NonCHHeavyAtom |
This matcher any heavy atom that is not C or H.
|
OrderQueryBond |
This matches a bond with a certain bond order.
|
PeriodicGroupNumberAtom |
This matcher checks the periodic group number of an atom.
|
RecursiveSmartsAtom |
This matches recursive smarts atoms.
|
RingAtom |
This matches an atom in a specific size ring.
|
RingBond |
This smarts bond matches any bond that is in a ring.
|
RingIdentifierAtom |
This encapsulates an atom with a ring identifier, with an optional ring
bond specified.
|
RingMembershipAtom |
This query atom matches any atom with a certain number of SSSR.
|
SmallestRingAtom |
This smarts atom matches any atom with the smallest SSSR size being a
certain value.
|
SMARTSAtom |
Abstract smarts atom.
|
SMARTSBond |
Abstract smarts bond.
|
StereoBond |
This query bond matches bonds with specific stereo type.
|
TotalConnectionAtom |
This matches an atom using total number of connections.
|
TotalHCountAtom |
This matcher checks the formal charge of the Atom.
|
TotalRingConnectionAtom |
This matcher checks the number of ring connections of the checked Atom with
other Atom's.
|
TotalValencyAtom |
This matcher checks the total valency of the Atom.
|