Recently, we developed quantitative structure-activity relationships (QSARs) for the toxicity to Folsomia candida of eight chlorobenzenes (CB) and four chloroanilines (CA). These QSARs used freely dissolved soil interstitial water concentrations determined by solid-phase microextraction (SPME), and corresponding with the EC10 and EC50 for effects on reproduction. Chemical concentrations however...

The emergence and rapid spread of chloroquine resistant strains of Plasmodium falciparum has dramatically reduced the chemotherapeutic options. Towards this goal, the quantitative structure-activity relationship analysis of some synthesized 7-substituted 4aminoquinolines were performed for their antiplasmodial activity against chloroquine-resistant parasites to find out the structural features ...

Structure-activity relationship (SAR) models are used to inform and to guide the iterative optimization of chemical leads, and they play a fundamental role in modern drug discovery. In this paper, we present a new class of methods for building SAR models, referred to as multi-assay based, that utilize activity information from different targets. These methods first identify a set of targets tha...

Structure-activity-relationship (SAR) models are used to inform and guide the iterative optimization of chemical leads, and play a fundamental role in modern drug discovery. In this paper we present a new class of methods for building SAR models, referred to as affinity-based, that utilize activity information from different targets. These methods first identify a set of targets that are relate...