We present a new model of parallel computation|the LogGP model|and use it to analyze a number of algorithms, most notably, the single node scatter (one-to-all personalized broadcast). The LogGP model is an extension of the LogP model for parallel computation CKP + 93] which abstracts the communication of xed-sized short messages through the use of four parameters: the communication latency (L),...

the purpose of this work is to develop robust and interpretable quantitative structure”activity relationship (qsar) models for assessing the aquatic toxicity of phenols using a combined set of descriptors encompassing the logp and recently developed variables (monconn-z variables). the used dataset consists of 250 chemicals with toxicity data to the ciliate tetrahymena pyriformis. for each com...

When messages, which are to be sent point-to-point in a network, become available at irregular intervals, a decision must be made each time a new message becomes available as to whether it should be sent immediately or if it is better to wait for more messages and send them all together. Because of physical properties of the networks, a certain minimum amount of time must elapse in between the ...

The LogP model is a model of parallel computation that characterises a parallel computer system by four parameters: the latency L, the overhead o, the gap g and the number of processors P . We study the complexity of scheduling fork graphs in the LogP model. It will be proved that constructing minimum-length schedules for fork graphs in the LogP model is a strongly NP-hard optimisation problem....

The Fast Messages (FM) project is a highly optimized , low latency messaging layer providing a virtual interface to the communication hardware. The purpose of this paper is to present a detailed characterization of the FM communication messaging layer using the LogP model. We have used a series of communication microbenchmarks to measure the parameters of the LogP model. These specialized bench...

Two predictive tools have been proposed by Austin et al. (Drug Metab Dispos 30:1497-1503, 2002) and Hallifax and Houston (Drug Metab Dispos 34:724-726, 2006) to estimate the fraction unbound in the incubation (fu(inc)). The current study was undertaken to elucidate the relative utility of these prediction tools over a range of drug lipophilicity and microsomal protein concentration. The fu(inc)...

Physico-chemical profiling is a fundamental tool at the early stage of drug discovery in screening drug-like candidates. Complex physico-chemical profiling, including molecular properties such as solubility, ionization, lipophilicity and permeability, has been found to be of predictive power in ADME (absorption, distribution, metabolism, elimination). In the present thesis work, the physico-che...

In this paper, QSPR models were developed for in vivo blood-brain partitioning data (logBB) of a large data set consisting of 115 diverse organic compounds. The best model is based on three descriptors: n-octanol/water partition coefficient calculated using the SLOGP approach, logP; high-charged polar surface areas based on the Gasteiger partial charges, HCPSA, and the excessive molecular weigh...