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 …

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 …

The ever-increasing demand for novel drug development has spurred the adaptation of
conventional research methods in the era of artificial intelligence. Pharmaceutical …

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 …

Pharmaceutical cocrystals are crystalline materials composed of at least two molecules, ie,
an active pharmaceutical ingredient (API) and a coformer, assembled by noncovalent forces …

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

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 …

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 …

Pre-trained chemical language models (CLMs) have attracted increasing attention within the
domains of cheminformatics and bioinformatics, inspired by their remarkable success in the …