A Profile of the Inactives

Les vaccins modernes contre la peste bovine. Etude comparative des vaccins inactives et des virus attenues (virus-vaccins)

The influence of training actives/inactives ratio on machine learning performance

In drug discovery, machine learning is widely used to classify molecules as active or inactive against a particular target. The vast majority of these methods (supervised learning) needs a training set of objects (molecules) to develop a decision rule that can be used to classify new entities (the test set) into one of the two mentioned classes [1]. A lot of studies, searching an optimal learni...

Discovery of Novel Antimalarial Compounds Enabled by QSAR-Based Virtual Screening

Quantitative structure-activity relationship (QSAR) models have been developed for a data set of 3133 compounds defined as either active or inactive against P. falciparum. Because the data set was strongly biased toward inactive compounds, different sampling approaches were employed to balance the ratio of actives versus inactives, and models were rigorously validated using both internal and ex...

Social stratification and cultural consumption: The visual arts in England

In this paper, we use recent survey data on the visual arts in order to test three arguments concerning the relationship between social stratification and cultural consumption: i.e. what we label as the ‘homology’, the ‘individualisation’ and the ‘omnivore–univore’ arguments. Through latent class analysis, we identify three types of consumer in the visual arts—‘omnivores’, ‘paucivores’ and non-...

The influence of the inactives subset generation on the performance of machine learning methods

BACKGROUND A growing popularity of machine learning methods application in virtual screening, in both classification and regression tasks, can be observed in the past few years. However, their effectiveness is strongly dependent on many different factors. RESULTS In this study, the influence of the way of forming the set of inactives on the classification process was examined: random and dive...