Deep generative models have gained recent popularity for chemical design. Many of these
models have historically operated in 2D space; however, more recently explicit 3D …

Since its first release in 2016, the Cambridge Structural Database Python application
programming interface (CSD Python API) has seen steady uptake within the community that …

In the field of pharmaceutical crystallization, the success of polymorphic manipulation is vital
to the performance of pharmaceutical formulations, and the choice of solvents might affect …

Changes in molecular conformation and its relationship with crystal polymorphism have
been well documented in previous work. To the best of our knowledge, however, the effect of …

The intricate relationship between conformational diversity and polymorphic nucleation is
evident, while the underlying mechanisms remain unclear. In this work, tizanidine (TZND) …

In the present study, a carboxamide compound (N-(1, 3-thiazol-2-yl)-2-pyrazine)(L) was
designed and synthesized by the reaction of 2-aminothiazol with 2-pyrazine carboxylic acid …

Nilutamide (Nil), commercialized under the trade names Nilandron and Anandron, is a
nonsteroidal antiandrogen drug used in prostate cancer treatment. The attempts to …

Two polymorphs, α (Z′= 4) and β (Z′= 1), of an N2, 6-diaryl-1, 3, 5-triazine-2, 4-diamine
derivative have been isolated at different times from ethanol solution. Significant …

Baclofen (BAC,(R/S)-4-amino-3-(4-chlorophenyl) butanoic acid), was used to form
multicomponent crystals (MCCs) with coformers (CFs) of different acidic strength and …

In this work, libraries of crystallographically determined bond lengths, valence angles and
torsion angles derived from the Cambridge Structural Database (CSD) are used to generate …