Pharmaceutical co-crystals represent a growing class of crystal forms in the context of
pharmaceutical science. They are attractive to pharmaceutical scientists because they …

Cancer ranks as the second foremost cause of death in various corners of the globe. The
clinical uses of assorted anticancer therapeutics have been limited owing to the poor …

Co-crystal formation can improve the physicochemical properties of a compound, thus
enhancing its druggability. Therefore, artificial intelligence-based co-crystal virtual screening …

Controlling the physical properties of solid forms for active pharmaceutical ingredients (APIs)
through cocrystallization is an important part of drug product development. However, it is …

The objectives of current review are (1) to provide a historical overview of artificial
intelligence and deep/machine learning (AI & D/ML) or Artificial Neural Network (ANN)(2) to …

The most favored approach for drug administration is the oral route. Several anticancer
drugs come under this category and mostly lack solubility and oral bioavailability, which are …

Cocrystal engineering as an effective way to modify solid-state properties has inspired great
interest from diverse material fields while cocrystal density is an important property closely …

The design and synthesis of cocrystals have emerged as promising crystal engineering
strategies for enhancing the physicochemical properties of a diverse range of target …

Bexarotene (BEX) was approved by the FDA in 1999 for the treatment of cutaneous T-cell
lymphoma (CTCL). The poor aqueous solubility causes the low bioavailability of the drug …

In this study, we introduce semi-supervised machine learning models designed to predict
molecular properties. Our model employs a two-stage approach, involving pre-training and …