Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Genetic Algorithm for Constrained Molecular Inverse Design   A genetic algorithm is suitable for exploring large search spaces as it finds
an approximate solution. Because of this advantage, genetic algorithm is
effective in exploring vast and unknown space such as molecular search space.
Though the algorithm is suitable for searching vast chemical space, it is
difficult to optimize pharmacological properties while maintaining molecular
substructure. To solve this issue, we introduce a genetic algorithm featuring a
constrained molecular inverse design. The proposed algorithm successfully
produces valid molecules for crossover and mutation. Furthermore, it optimizes
specific properties while adhering to structural constraints using a two-phase
optimization. Experiments prove that our algorithm effectively finds molecules
that satisfy specific properties while maintaining structural constraints.

35
The categories of this paper are: mtrl-th
14
The categories of this paper are: math-ph
31
The categories of this paper are: ao-sci
28
The categories of this paper are: alg-geom
22
The categories of this paper are: chao-dyn
21
The categories of this paper are: adap-org
15
The categories of this paper are: nucl-ex
9
The categories of this paper are: nlin
34
The categories of this paper are: chem-ph
32
The categories of this paper are: atom-ph
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The categories of this paper are: comp-gas
5
The categories of this paper are: gr-qc
17
The categories of this paper are: q-fin
24
The categories of this paper are: dg-ga
30
The categories of this paper are: q-alg
6
The categories of this paper are: astro-ph