نتایج جستجو برای: sar structureactivity relationship
تعداد نتایج: 569880 فیلتر نتایج به سال:
MacArthur and Wilson's theory of island biogeography predicts that island species richness should increase with island area. This prediction generally holds among large islands, but among small islands species richness often varies independently of island area, producing the so-called 'small-island effect' and an overall biphasic species-area relationship (SAR). Here, we develop a unified theor...
An experiment was performed in Northern Maine recently to evaluate the use of Synthetic Aperture Radar (SAR) data in the measurement of soil moisture content in small area plots with varying surface cover and at various subsurface depths. Ground preparation efforts involved defining six contiguous 30 m x 30 m plots with three surface cover conditions: bare tilled soil, short grass and forest. F...
Nonadditivity in protein-ligand affinity data represents highly instructive structure-activity relationship (SAR) features that indicate structural changes and have the potential to guide rational drug design. At the same time, nonadditivity is a challenge for both basic SAR analysis as well as many ligand-based data analysis techniques such as Free-Wilson Analysis and Matched Molecular Pair an...
An interagency collaboration was established to model chemical interactions that may cause adverse health effects when an exposure to a mixture of chemicals occurs. Many of these chemicals--drugs, pesticides, and environmental pollutants--interact at the level of metabolic biotransformations mediated by cytochrome P450 (CYP) enzymes. In the present work, spectral data-activity relationship (SDA...
A series of 6-hetaryloxy benzoxaborole compounds was designed and synthesized for a structure-activity relationship (SAR) investigation to assess the changes in antimalarial activity which result from 6-aryloxy structural variation, substituent modification on the pyrazine ring, and optimization of the side chain ester group. This SAR study discovered highly potent 6-(2-(alkoxycarbonyl)pyraziny...
In a previous Method Article, we have presented the 'Structure-Activity Relationship (SAR) Matrix' (SARM) approach. The SARM methodology is designed to systematically extract structurally related compound series from screening or chemical optimization data and organize these series and associated SAR information in matrices reminiscent of R-group tables. SARM calculations also yield many virtua...
Structure-activity relationship (SAR) analysis of small bioactive compounds is a key task in medicinal chemistry. Traditionally, SARs were established on a case-by-case basis. However, with the arrival of high-throughput screening (HTS) and synthesis techniques, a surge in the size and structural heterogeneity of compound data is seen and the use of computational methods to analyse SARs has bec...
Because of all-weather working ability, sensitivity to biomass and moisture, and high spatial resolution, Synthetic aperture radar (SAR) satellite images can perfectly complement optical images for pasture monitoring. This paper aims to examine the potential of the integration of COnstellation of small Satellites for the Mediterranean basin Observasion (COSMO-SkyMed), Environmental Satellite Ad...
The backprojection (BP) algorithm has been applied to every SAR mode due to its great focusing quality and adaptability. However, the BP algorithm suffers from immense computational complexity. To improve the efficiency of the conventional BP algorithm, several fast BP (FBP) algorithms, such as the fast factorization BP (FFBP) and Block_FFBP, have been developed in recent studies. In the deriva...
OBJECTIVES The objective of this study was to develop and test computer algorithms to export micro computed tomography (microCT) images and to generate tumour geometry and specific absorption rate (SAR) distribution for heat transfer simulation in magnetic nanoparticle hyperthermia. METHODS Computer algorithms were written to analyse and export microCT images of 3D tumours containing magnetic...
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