Activity cliff clusters as a source of structure–activity relationship information

Evaluating Youtube as A Source of Patient Information on Dupuytren’s Disease

Advancing the activity cliff concept

The activity cliff concept has experienced increasing interest in medicinal chemistry and chemoinformatics. Activity cliffs have originally been defined as pairs of structurally similar compounds that are active against the same target but have a large difference in potency. Activity cliffs are relevant for structure-activity relationship (SAR) analysis and compound optimization because small c...

PubChem structure–activity relationship (SAR) clusters

BACKGROUND Developing structure-activity relationships (SARs) of molecules is an important approach in facilitating hit exploration in the early stage of drug discovery. Although information on millions of compounds and their bioactivities is freely available to the public, it is very challenging to infer a meaningful and novel SAR from that information. RESULTS Research discussed in the pres...

Intracluster Supernova as a Possible Extra Energy Source of Clusters

The observed luminosity – temperature relation of clusters is considerably steeper than that expected from a simple scaling relation. Although extra energy input is a likely solution, its source has not been identified. We propose intracluster supernova as a possible source, and also predict the supernova rate in intracluster space as a critical test.

Structure Shocks as a Source of Cosmic Rays in Clusters

Shocks are a ubiquitous consequence of cosmic structure formation, and they play an essential role in heating galaxy cluster media. Virtually all of the gas in clusters has been processed by one or more shocks of at least moderate strength. These are collisionless shocks, so likely sites for diffusive shock acceleration of high energy particles. We have carried out numerical simulations of cosm...