AI is a viable alternative to high throughput screening: a 318-target study

: High throughput screening (HTS) is routinely used to identify bioactive small molecules. This requires physical compounds, which limits coverage of accessible chemical space. Computational approaches combined with vast on-demand chemical libraries can access far greater chemical space, provided that the predictive accuracy is sufficient to identify useful molecules. Through the largest and most diverse virtual HTS campaign reported to date, comprising 318 individual projects, we demonstrate that our AtomNet® convolutional neural network successfully finds novel hits across every major therapeutic area and protein class. We address historical limitations of computational screening by demonstrating success for target proteins without known binders, high-quality X-ray crystal structures, or manual cherry-picking of compounds. We show that the molecules selected by the AtomNet® model are novel drug-like scaffolds rather than minor modifications to known bioactive compounds. Our empirical results suggest that computational methods can substantially replace HTS as the first step of small-molecule drug discovery

Research Methodology

The debate on standardization versus adaptation is everywhere apparent and addresses the question whether and to what extent consumer behaviour differs between countries. While some studies confirm the assumption of one single pan-European market, another stream of research emphasizes that European countries continue to possess predominantly distinct market identities and favour multi-regional strategies. Thus, in the tension between worldwide standardization, national customization, and hybrid approaches such as “glocalization,” the aim of this chapter is to shed light on the importance of cultural differences and similarities in international marketing. After discussing the meaning of cultural influences for marketing management in general, this chapter presents the results of a meta-analytic literature review concentrating on consumer culture in the food and beverage sector