Quantitative Structure Activity Relationship (QSAR) is a term describing a variety of approaches that are of substantial interest for chemistry. This method can be defined as indirect molecular design by the iterative sampling of the chemical compounds space to optimize a certain property and thus indirectly design the molecular structure having this property. However, modeling the interactions...

A quantitative structure activity relationship analysis was applied to a library of 51 benzylacetamide derivatives with anticonvulsant activity. The molecular structures of 51 compounds were optimized with the Semiempirical Method PM6 (Parametric Method-6) included in the MOPAC2009 software. The optimized structures of all the examined compounds were represented by 1497 DRAGON-type descriptors....

__________________________________________________________________________________________ Abstract. There are many pathogen microbial species with very different antimicrobial drugs susceptibility. In this work, we selected pairs of antifungal drugs with similar/dissimilar species predicted-activity profile and represented it as a large network, which may be used to identify drugs with similar...

objective: the aim of this study was to estimate the cheminformatics and qualitative structure-activity relationship (qsar) of cinnamaldehyde and eugenol. the effects of cinnamaldehyde and eugenol on the viability, doubling time and adipogenic or osteogenic differentiations of human adipose-derived mesenchymal stem cells (hascs) were also investigated.  materials and methods: qsar and toxicity ...

binary logistic regression (blr) has been developed as non-linear models to establish quantitative structure- activity relationships (qsar) between structural descriptors and biochemical activity of carbonic anhydrase inhibitors. using a training set consisted of 21 compounds with known ki values, the model was trained and tested to solve two-class problems as active or inactive on the basis of...

The high resolution integration of bread wheat genetic and genomic resources accumulated during the last decades offers the opportunity to unveil candidate genes driving major agronomical traits to an unprecedented scale. We combined 27 public quantitative genetic studies and four genetic maps to deliver an exhaustive consensus map consisting of 140,315 molecular markers hosting 221, 73, and 82...

We discuss two methods of making nonparametric Bayesian inference on probability measures subject to a partial stochastic ordering. The first method involves a nonparametric prior for a measure on partially ordered latent observations, the second involves rejection sampling. Computational approaches are discussed for each method, and interpretations of prior and posterior information are discus...

The Genome-Wide Association Studies approach was used to detect Quantitative Trait Loci associated with tocochromanol concentrations using a panel of 1,466 barley accessions. All major tocochromanol types- α-, β-, δ-, γ-tocopherol and tocotrienol- were assayed. We found 13 single nucleotide polymorphisms associated with the concentration of one or more of these tocochromanol forms in barley, se...

Although carcass trait selection programs have primarily focused on carcass marbling (quality grade), recent changes in the North American beef industry will very likely increase the economic importance of carcass composition (yield grade). Ultrasound technology is a valuable tool in these efforts. This review summarizes recent research pertaining to the role of ultrasound in improving carcass ...

Phenotypic variance results from variation in biological information possessed by individuals. Quantitative geneticists often strive to partition out all environmental variance to measure heritability. Behavioral biologists and ecologists however, require methods to integrate genetic and environmental components of inherited phenotypic variance in order to estimate the evolutionary potential of...