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In the given example, node m has one edge into T2(s) and is mapped to atom n with a cardinality of two.
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Nodes and edges are mapped to atoms and bonds in accordance with their labels.
Given two identical molecules A and all atomstoms will be mapped to equivalent atoms yielding atom-to-atom similarities SimAi,A'i equal to 1. Therefore, the sum over the mapped atoms in Equation 3 will yield the number of atoms and as a result SimA,A' will be 1.
Every atom in structure A must be mapped to an atom in structure B which has the same element label, charge, unpaired electron count, etc.
As long as the atoms with an increased edge weight are mapped to appropriate atoms topological errors do not matter.
The key bottleneck in these studies is to determine the backbone resonance assignment, which allows spectral peaks to be mapped to specific atoms.
The numbers indicate which reactant atom has been mapped to which product atom.
If there is no subject, then this primitive should be mapped to the corresponding Add Atom primitive.
A substrate atom was deemed to be uniquely identifiable if it was the only unmapped atom of a particular element and it could therefore only map to one atom of the same element in the products.
If a collision occurs, the weight of a feature is mapped to all sets of atoms or bonds that caused the collision.
Upon SMILES generation, /atomComments/ adds comments indicating which atoms in the structure map to which atoms in the SMILES string, and the /hydrogens/ directive indicates that all hydrogen atoms are to be given explicitly.
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Since I tried Ludwig back in 2017, I have been constantly using it in both editing and translation. Ever since, I suggest it to my translators at ProSciEditing.

Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com