Data science is likely to lead to major changes in cardiovascular imaging. Problems with
timing, efficiency, and missed diagnoses occur at all stages of the imaging chain. The …

The application of guidelines linked to the concept of drug-likeness, such as the'rule of five',
has gained wide acceptance as an approach to reduce attrition in drug discovery and …

The judicious application of ligand or binding efficiency metrics, which quantify the molecular
properties required to obtain binding affinity for a drug target, is gaining traction in the …

UK Biobank is a population-based cohort of half a million participants aged 40–69 years
recruited between 2006 and 2010. In 2014, UK Biobank started the world’s largest multi-modal …

The process of drug discovery applies rigorous selection pressures. Marketed oral drugs
will generally possess favorable physiochemical properties with respect to absorption, …

The principles of molecular property optimization in drug design have been understood for
decades, yet much drug discovery activity today is conducted at the periphery of historical …

The pharmaceutical industry remains under huge pressure to address the high attrition rates
in drug development. Attempts to reduce the number of efficacy- and safety-related failures …

Comparisons of the calculated physicochemical properties of oral drugs launched prior to
1983 (864 drugs) and between 1983 and 2002 (329 drugs) show that mean values of …

To be considered for further development, lead structures should display the following
properties: (1) simple chemical features, amenable for chemistry optimization; (2) membership to …

The optimization of low‐potency leads into drugs is often accompanied by an increase in
molecular weight (M r ) and lipophilicity, as a consequence of affinity enhancement. Hits with …