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 …

Fundamental physiochemical features of CNS drugs are related to their ability to penetrate
the blood-brain barrier affinity and exhibit CNS activity. Factors relevant to the success of …

Docking techniques in pharmacology: How much promising? - ScienceDirect Skip to main
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The 7th amendment to the EU Cosmetics Directive prohibits to put animal-tested cosmetics
on the market in Europe after 2013. In that context, the European Commission invited …

Appropriate tuning of binding selectivity is a primary objective in the discovery and
optimization of a compound on the path toward developing a drug. The environment in …

Computational (in silico) methods have been developed and widely applied to
pharmacology hypothesis development and testing. These in silico methods include …

Although catalytic reductions, cross‐couplings, metathesis, and oxidation of C C double
bonds are well established, the corresponding catalytic hydroxylations of C H bonds in …

Identification of metabolic biotransformations can significantly affect the drug discovery
process. Since bioavailability, activity, toxicity, distribution, and final elimination all depend …

Metabolism of xenobiotics remains a central challenge for the discovery and development of
drugs, cosmetics, nutritional supplements, and agrochemicals. Metabolic transformations …

Cytochrome P450 2D6 is a heme-containing enzyme that is responsible for the metabolism
of at least 20% of known drugs. Substrates of 2D6 typically contain a basic nitrogen and a …