Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: The octet rule in chemical space: Generating virtual molecules   We present a generator of virtual molecules that selects valid chemistry on
the basis of the octet rule. Also, we introduce a mesomer group key that allows
a fast detection of duplicates in the generated structures.
  Compared to existing approaches, our model is simpler and faster, generates
new chemistry and avoids invalid chemistry. Its versatility is illustrated by
the correct generation of molecules containing third-row elements and a
surprisingly adept handling of complex boron chemistry.
  Without any empirical parameters, our model is designed to be valid also in
unexplored regions of chemical space. One first unexpected finding is the high
prevalence of dipolar structures among generated molecules.

27
The categories of this paper are: comp-gas
16
The categories of this paper are: stat
35
The categories of this paper are: mtrl-th
7
The categories of this paper are: hep-th
23
The categories of this paper are: solv-int
14
The categories of this paper are: math-ph
13
The categories of this paper are: quant-ph
0
The categories of this paper are: hep-ph
29
The categories of this paper are: funct-an
19
The categories of this paper are: eess
31
The categories of this paper are: ao-sci
36
The categories of this paper are: cmp-lg
1
The categories of this paper are: cs
15
The categories of this paper are: nucl-ex
17
The categories of this paper are: q-fin
2
The categories of this paper are: math