Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Effects of Cooling Rate on Structural Relaxation in Amorphous Drugs:
  Elastically Collective Nonlinear Langevin Equation Theory and Machine
  Learning Study   Theoretical approaches are formulated to investigate the molecular mobility
under various cooling rates of amorphous drugs. We describe the structural
relaxation of a tagged molecule as a coupled process of cage-scale dynamics and
collective molecular rearrangement beyond the first coordination shell. The
coupling between local and non-local dynamics behaves distinctly in different
substances. Theoretical calculations for the structural relaxation time, glass
transition temperature, and dynamic fragility are carried out over twenty-two
amorphous drugs and polymers. Numerical results have a quantitatively good
accordance with experimental data and the extracted physical quantities using
the Vogel-Fulcher-Tammann fit function and machine learning. The machine
learning method reveals the linear relation between the glass transition
temperature and the melting point, which is a key factor for pharmaceutical
solubility. Our predictive approaches are reliable tools for developing drug
formulation.

20
The categories of this paper are: acc-phys
18
The categories of this paper are: econ
23
The categories of this paper are: solv-int
21
The categories of this paper are: adap-org
26
The categories of this paper are: bayes-an
33
The categories of this paper are: plasm-ph
32
The categories of this paper are: atom-ph
5
The categories of this paper are: gr-qc
29
The categories of this paper are: funct-an
19
The categories of this paper are: eess
9
The categories of this paper are: nlin
31
The categories of this paper are: ao-sci
16
The categories of this paper are: stat
1
The categories of this paper are: cs
37
The categories of this paper are: supr-con
22
The categories of this paper are: chao-dyn