Artificial intelligence (AI), and, in particular, deep learning as a subcategory of AI, provides
opportunities for the discovery and development of innovative drugs. Various machine …

Neurological disorders significantly outnumber diseases in other therapeutic areas.
However, developing drugs for central nervous system (CNS) disorders remains the most …

CNS disorders are indications with a very high unmet medical needs, relatively smaller
number of available drugs, and a subpar satisfaction level among patients and caregiver …

Biofilms are one of the leading causes of antibiotic resistance. It acts as a physical barrier
against the human immune system and drugs. The use of anti-biofilm agents helps in …

In an associated paper, we have described a reference implementation of Laplacian-
corrected naïve Bayesian model building using extended connectivity (ECFP)-and …

The skin is the main barrier between the internal body environment and the external one.
The characteristics of this barrier and its properties are able to modify and affect drug …

Prenylated flavonoids and isoflavonoids are phytochemicals with remarkable antibacterial
activity. In this study, 30 prenylated (iso) flavonoids were tested against Listeria …

Thyroid hormone disrupting chemicals (THDCs) interfere with the thyroid hormone system
and may induce multiple severe physiological disorders. Indoor dust ingestion is a major …

Molecular descriptor selection is a pivotal tool for quantitative structure–activity relationship
modeling. This paper proposes a novel molecular descriptor selection method on the basis …

Purpose Tuberculosis treatments need to be shorter and overcome drug resistance. Our
previous large scale phenotypic high-throughput screening against Mycobacterium …