Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Automatic Inference of Graph Transformation Rules Using the Cyclic
  Nature of Chemical Reactions   Graph transformation systems have the potential to be realistic models of
chemistry, provided a comprehensive collection of reaction rules can be
extracted from the body of chemical knowledge. A first key step for rule
learning is the computation of atom-atom mappings, i.e., the atom-wise
correspondence between products and educts of all published chemical reactions.
This can be phrased as a maximum common edge subgraph problem with the
constraint that transition states must have cyclic structure. We describe a
search tree method well suited for small edit distance and an integer linear
program best suited for general instances and demonstrate that it is feasible
to compute atom-atom maps at large scales using a manually curated database of
biochemical reactions as an example. In this context we address the network
completion problem.

18
The categories of this paper are: econ
32
The categories of this paper are: atom-ph
35
The categories of this paper are: mtrl-th
14
The categories of this paper are: math-ph
6
The categories of this paper are: astro-ph
34
The categories of this paper are: chem-ph
10
The categories of this paper are: q-bio
12
The categories of this paper are: nucl-th
0
The categories of this paper are: hep-ph
3
The categories of this paper are: physics
23
The categories of this paper are: solv-int
20
The categories of this paper are: acc-phys
7
The categories of this paper are: hep-th
17
The categories of this paper are: q-fin
28
The categories of this paper are: alg-geom
19
The categories of this paper are: eess