Two independent methods have been developed and compared to determine the lipophilicity of a representative series of naturally occurring bile acids (BA) in relation to their structure. The BA included cholic acid (CA), chenodeoxycholic acid (CDCA), ursodeoxycholic acid (UDCA), deoxycholic acid (DCA), hyodeoxycholic acid (HDCA), ursocholic acid (UCA), hyocholic acid (HCA), as well as their glyc...

it is well known that the chemical behavior of a compound is dependent upon the structure of itsmolecules. quantitative structure – activity relationship (qsar) studies and quantitative structure –property relationship (qspr) studies are active areas of chemical research that focus on the nature ofthis dependency. topological indices are the numerical value associated with chemical constitution...

It is shown that every prime p has a proof of its primality of length 0(logp) multiplications modulo p.

This article provides a regularity criterion for the surface quasigeostrophic equation with supercritical dissipation. This criterion is in terms of the norm of the solution in a Orlicz-Morrey space. The result shows that, if a weak solutions θ satisfies Z T 0 ‖∇θ(·, s)‖ α α−r M L2 logP L 1 + ln(e+ ‖∇⊥θ(·, s)‖L2/r ) ds <∞, for some 0 < r < α and 0 < α < 1, then θ is regular at t = T . In view o...

1 Abstract—Data movement across a memory hierarchy can severely impact application execution time. For example, on the fast interconnect of the Origin 2000 three-and four-fold increases in communication cost for small message transmissions (~1K) stored non-contiguously are not uncommon. Simple, accurate predictions of communication time in hierarchical memories will identify bottlenecks in comm...

The following problem was considered by Mueller [M]: Suppose we have a specialpurpose hardware device that enables us to son p numbers at a time, in time 0 (P). How can a conventional random access machine use such a device to son n numbers, n >p, in better than o(n logn) time? Clearly, it is impossible to hope for better than 0 (n logn/logp) time performance because of the Q(n logn) lower boWl...

The lipophilicity of two series of thiosemicarbazide derivatives was assessed by the RP-HPLC method with the RP-18 chromatographic column and the methanol-water mixture as the mobile phase. Distribution coefficients logPHPLC were compared to calculated values generated by commonly used AClogP software and quantum chemical calculations. The reliability of the predictions was evaluated using the ...

This paper studies a set of 2-D basic algorithms for SIMD perfect shuffle networks. Those algorithms where studied in [1] and [SN], but for the 1-D case, where the size of the problem N is the same as the number of processors P. For the 2-D case of N = L * P, we improve some algorithms to be "2-D efficient", by improving their running time from Ο(L *logP) to Ο(L + logP), as N exceeds P. We give...

Small molecule lipophilicity is often included in generalized rules for medicinal chemistry. These aim to reduce time, effort, costs, and attrition rates drug discovery, allowing the rejection or prioritization of compounds without need synthesis testing. The availability high quality, abundant training data machine learning methods can be a major limiting factor building effective property pre...