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Articles 30361 - 30390 of 34191
Full-Text Articles in Entire DC Network
Policy Analysis Of Chapter 101a, Readiness And Range Preservation, Of The National Defense Authorization Act For Fiscal Year 2004, William E. Sitzabee
Policy Analysis Of Chapter 101a, Readiness And Range Preservation, Of The National Defense Authorization Act For Fiscal Year 2004, William E. Sitzabee
Theses and Dissertations
This research analyzed the United States Air Force's ability to meet the two conditions required for exemptions of critical habitat designations that are authorized under the National Defense Authorization Act for Fiscal Year 2004. The research was limited to natural resources management on United States Air Force training ranges. Department of Defense exemptions can only be achieved if two conditions exist: the management activities must meet the intent of the Endangered Species Act and conserve the threatened and endangered species identified on the lands managed under an Integrated Natural Resources Management Plan (INRMP), and the plan must ensure that there …
Modeling A Field Application Of In Situ Bioremediation Of Perchlorate-Contaminated Groundwater Using Horizontal Flow Treatment Wells (Hftws), Peter G. Chosa
Modeling A Field Application Of In Situ Bioremediation Of Perchlorate-Contaminated Groundwater Using Horizontal Flow Treatment Wells (Hftws), Peter G. Chosa
Theses and Dissertations
Perchlorate contaminated groundwater is rapidly becoming a significant environmental remediation issue for the Department of Defense. In this study, an existing numerical model that simulates the operation of a Horizontal Flow Treatment Well (HFTW) system to effect the in situ biodegradation of perchlorate through the addition of an electron donor is modified to include a submodel that describes bioclogging. Bioclogging restricts flow out of the HFTW due to the accumulation of biomass directly adjacent to the well. The modified model is then applied to an existing perchlorate contaminated site that will be used for an evaluation of the HFTW technology. …
Application Of Horizontal Flow Treatment Wells For In Situ Treatment Of Mtbe-Contaminated Groundwater, Preston F. Rufe
Application Of Horizontal Flow Treatment Wells For In Situ Treatment Of Mtbe-Contaminated Groundwater, Preston F. Rufe
Theses and Dissertations
This study utilized a three-dimensional numerical model to evaluate the potential application of HFTWs to manage MTBE-contaminated groundwater. HFTWs consist of two dual-screened treatment wells. One well operates in an upflow mode, with MTBE-contaminated water extracted from an aquifer through a screen in the deep portion of an aquifer and injected into the aquifer through a shallow well screen, while the adjacent well operates in a downflow mode, extracting water from the shallow zone of the aquifer and injecting it into the deep zone. As the MTBE-contaminated water flows through the wells, an electron acceptor and/or another electron donor is …
Estimating Cost Growth In Engineering And Schedule Cost Categories Using A Two-Pronged Regression Approach, Chris J. Mcdaniel
Estimating Cost Growth In Engineering And Schedule Cost Categories Using A Two-Pronged Regression Approach, Chris J. Mcdaniel
Theses and Dissertations
This research confirms the usefulness of the logistic and multiple regression two-step procedure for assessing cost growth in major DoD weapon systems. We compile programmatic data from the Selected Acquisition Reports (SARs) between 1990 and 2002 for programs covering all defense departments. Our analysis concentrates on cost growth in the procurement appropriations of the Engineering and Manufacturing Development phase of acquisitions. We investigate the use of logistic regression in cost growth analysis to predict whether or not cost growth will occur in a program. If applicable, multiple regression is implemented to predict how much cost growth will occur. Our study …
Effects Of Duty Schedule Variance And Overtime On The Job Satisfaction And Turnover Intentions Of Usaf F-16 Crew Chiefs, Michael J. Shellhamer
Effects Of Duty Schedule Variance And Overtime On The Job Satisfaction And Turnover Intentions Of Usaf F-16 Crew Chiefs, Michael J. Shellhamer
Theses and Dissertations
This thesis empirically assessed how duty schedule variance and overtime affect the job satisfaction and turnover intentions of USAF F-16 crew chiefs. A survey was completed by 346 active duty USAF F-16 crew chiefs regarding their perceptions of duty schedule variance, overtime, job satisfaction and intent to leave the Air Force. Theory suggests that turnover behavior is a multistage process that involves organizational, individual, and attitudinal components. Using multivariate correlation and regression analyses, plausible evidence was found to support the idea that duty schedule variance and overtime plays a role in USAF F-16 crew chief turnover intentions via job satisfaction. …
Changes In Pulmonary Arterial Wall Mechanical Properties And Lumenal Architecture With Induced Vascular Remodeling, Robert C. Molthen, Amy Heinrich, Steven Thomas Haworth, Christopher A. Dawson
Changes In Pulmonary Arterial Wall Mechanical Properties And Lumenal Architecture With Induced Vascular Remodeling, Robert C. Molthen, Amy Heinrich, Steven Thomas Haworth, Christopher A. Dawson
Biomedical Engineering Faculty Research and Publications
To explore and quantify pulmonary arterial remodeling we used various methods including micro-CT, high-resolution 3-dimensional x-ray imaging, to examine the structure and function of intact pulmonary vessels in isolated rat lungs. The rat is commonly used as an animal model for studies of pulmonary hypertension (PH) and the accompanying vascular remodeling, where vascular remodeling has been defined primarily by changes in the vessel wall composition in response to hypertension inducing stimuli such as chronic hypoxic exposure (CHE) or monocrotaline (MCT) injection. Little information has been provided as to how such changes affect the vessel wall mechanical properties or the lumenal …
Quantification Of Bronchial Circulation Perfusion In Rats, Christian Wieholt, Robert C. Molthen, Steven Thomas Haworth, David L. Roerig, Christopher A. Dawson, Anne V. Clough
Quantification Of Bronchial Circulation Perfusion In Rats, Christian Wieholt, Robert C. Molthen, Steven Thomas Haworth, David L. Roerig, Christopher A. Dawson, Anne V. Clough
Biomedical Engineering Faculty Research and Publications
The bronchial circulation is thought to be the primary blood supply for pulmonary carcinomas. Thus, we have developed a method for imaging and quantifying changes in perfusion in the rat lung due to development of the bronchial circulation. A dual-modality micro-CT/SPECT system was used to detect change in perfusion in two groups of rats: controls and those with a surgically occluded left pulmonary artery. Both groups were imaged following injections on separate days i) 2mCi of Tc99m labeled macroaggregated albumin (MAA) into the left carotid artery (IA) and ii) a similar injection into the femoral vein (IV). The IA injection …
On The Implementation Of Swarmlinda? A Linda System Based On Swarm Intelligence (Extended Version), Ahmed Charles, Ronaldo Menezes, Robert Tolksdorf
On The Implementation Of Swarmlinda? A Linda System Based On Swarm Intelligence (Extended Version), Ahmed Charles, Ronaldo Menezes, Robert Tolksdorf
Electrical Engineering and Computer Science Faculty Publications
Natural-forming multi-agent systems (aka Swarms) can grow to enormous sizes and perform seemingly complex tasks without the existence of any centralized control. Their success comes from the fact that agents are simple and the interaction with the environment and neighboring agents is local in nature. In this paper we discuss the implementation of SwarmLinda, a Linda-based system that abstracts Linda concepts in terms of swarm intelligence constructs such as scents and stigmergy. The goal of this implementation is to achieve many characteristics such as scalability, adaptiveness and some level of fault tolerance. This paper describes our initial version of SwarmLinda …
Sensitivity Analysis Of Hill Muscle Parameters, Janet Brelin-Fornari, Paras Shah, Mohamed El-Sayed
Sensitivity Analysis Of Hill Muscle Parameters, Janet Brelin-Fornari, Paras Shah, Mohamed El-Sayed
Crash Safety Center Publications
A computational, rigid body model of a 50th percentile male head and neck utilizing 15 Hill Muscle pairs is used to study the sensitivity of Hill Muscle Model parameters. A 15g linear acceleration is applied within the transverse plane at the lowest vertebral level of the neck (T1). The resultant linear acceleration of the head is analyzed. In response is minimally affected. The peak accelerations did change, and in the case of varying muscle activation, the peak acceleration changed significantly, 36%. Each of the other parameter variations affected the peak acceleration of the head by less than 5%. Overall, …
Geometric Approach To Detecting And Locating Cracks In Thin Plates By Lamb Wave Reflection: Case Of Moving Transducer, Jose R. Mares, Roberto A. Osegueda, Nagaswaroopa Kaukuri, Vladik Kreinovich
Geometric Approach To Detecting And Locating Cracks In Thin Plates By Lamb Wave Reflection: Case Of Moving Transducer, Jose R. Mares, Roberto A. Osegueda, Nagaswaroopa Kaukuri, Vladik Kreinovich
Departmental Technical Reports (CS)
This paper portrays work for the development of a Lamb wave scanning method for the detection of defects in thin plates. The approach requires the generation of an ultrasonic A0 and S0-mode Lamb wave using an incident transmitter excited with a tone burst centered at a near non-dispersive frequency. With a fixed relative separation both transmitter and receiving transducer remotely scan a specific line section of the plate. The arrival time information coming from incident and reflected waves contain information associated with the location of reflection surfaces or potential flaws. The Hilbert-Huang transform is applied to the intrinsic mode functions …
Using Covers To Minimize Odor And Gas Emissions From Manure Storages, José R. Bicudo, David R. Schmidt, Larry D. Jacobson
Using Covers To Minimize Odor And Gas Emissions From Manure Storages, José R. Bicudo, David R. Schmidt, Larry D. Jacobson
Agricultural Engineering Extension Publications
Odor emissions from animal production sites are typically the leading cause of nuisance complaints. Locating facilities far from neighbors is often a solution to the odor problem, but this is not always an option for producers. Most often, reducing odor emissions from the farm is the only option available.
Sensitivity Analysis Of Hill Muscle Parameters, Janet Brelin-Fornari, Paras Shah, Mohamed El-Sayed
Sensitivity Analysis Of Hill Muscle Parameters, Janet Brelin-Fornari, Paras Shah, Mohamed El-Sayed
Mechanical Engineering Presentations And Conference Materials
A computational, rigid body model of a 50th percentile male head and neck utilizing 15 Hill Muscle pairs is used to study the sensitivity of Hill Muscle Model parameters. A 15g linear acceleration is applied within the transverse plane at the lowest vertebral level of the neck (T1). The resultant linear acceleration of the head is analyzed. In response is minimally affected. The peak accelerations did change, and in the case of varying muscle activation, the peak acceleration changed significantly, 36%. Each of the other parameter variations affected the peak acceleration of the head by less than 5%. Overall, …
Fatty Acid Composition And Oxidation Of Lipids In Korean Catfish, K. T. Hwang, J. E. Kim, S. G. Kang, S. T. Jung, H. J. Park, Curtis L. Weller
Fatty Acid Composition And Oxidation Of Lipids In Korean Catfish, K. T. Hwang, J. E. Kim, S. G. Kang, S. T. Jung, H. J. Park, Curtis L. Weller
Department of Agricultural and Biological Systems Engineering: Faculty Publications
This study determined the lipid content and FA composition of muscle and a mixture of muscle and viscera from Korean catfish as well as lipid oxidation and hydrolysis. Lipid content and FA compositions in Korean catfish, which were purchased every month or two during September 1999–July 2000, were analyzed. Lipid oxidation and hydrolysis were determined as PV, thiobarbituric acid value, and FFA in the muscle and the mixture during storage at 2°C for 12 d and –14°C for 9 wk. Lipid contents of the muscle and the mixture were 3.2 (w/w) and 5.4%, respectively. Oleic acid was the most abundant …
Laboratory Project In Wireless Fsk Receiver Design, Michael A. Jensen, Cynthia Fuse, Raymond Woodward
Laboratory Project In Wireless Fsk Receiver Design, Michael A. Jensen, Cynthia Fuse, Raymond Woodward
Faculty Publications
This paper describes a wireless local area network laboratory project that provides senior and first-year graduate students in microwave engineering courses the opportunity to design, build, and test several passive microstrip components and integrate them into a working system. Students design filters, couplers, amplifiers, diode detectors, quarter-wave transformers, antennas, and stub matching networks in weekly labs that parallel-lectures in a one-semester microwave engineering course. This paper also describes simple inexpensive prototyping and testing methods that have been used in this course. Laboratory materials and technical details of the design are provided on the web for students and educators.
The Use Of A Water Quality Model To Evaluate The Impacts Of Combined Sewer Overflows On The Lower Hudson River, Wen-Pin Shu
The Use Of A Water Quality Model To Evaluate The Impacts Of Combined Sewer Overflows On The Lower Hudson River, Wen-Pin Shu
Dissertations
CSO discharges have long been recognized as a significant source of water pollution. While many sources of water pollution have been controlled over the past 20 years, CSOs continue to be a main environmental concern in several areas, especially in old cities. In the past, most CSO research focused on the CSO control processes, including floatables and suspended solids removal. Few studies have been conducted in the area of the impacts of CSO discharge on the receiving water quality. To achieve this purpose, a powerful water-modeling tool, WASP 6.1, is utilized in this study. The Lower Hudson River is selected …
Multi-Spectral Light Interaction Modeling And Imaging Of Skin Lesions, Sachin Vidyanand Patwardhan
Multi-Spectral Light Interaction Modeling And Imaging Of Skin Lesions, Sachin Vidyanand Patwardhan
Dissertations
Nevoscope as a diagnostic tool for melanoma was evaluated using a white light source with promising results. Information about the lesion depth and its structure will further improve the sensitivity and specificity of melanoma diagnosis. Wavelength-dependent variable penetration power of monochromatic light in the trans-illumination imaging using the Nevoscope can be used to obtain this information. Optimal selection of wavelengths for multi-spectral imaging requires light-tissue interaction modeling. For this, three-dimensional wavelength dependent voxel-based models of skin lesions with different depths are proposed. A Monte Carlo simulation algorithm (MCSVL) is developed in MATLAB and the tissue models are simulated using the …
Dielectrophoretic Manipulation Of Biological And Non-Biological Analytes In A Microfluidic Channel, Dawn J. Bennett
Dielectrophoretic Manipulation Of Biological And Non-Biological Analytes In A Microfluidic Channel, Dawn J. Bennett
Dissertations
Micro-total-analytical systems (μTASs) for analyzing chemical/biological substances are now used across a wide variety of applications ranging from biological warfare agent detection to the healthcare industry. The first step in the operation of a μTAS consists of concentrating and separating the analytes of interest from the background matrix and positioning them into selected locations for subsequent analysis. The use of ac electric fields was demonstrated to have promising potential for a μTAS because the application of an ac field suppresses undesirable electrolytic effects in the liquid. The main purpose of this work is to study micro-scale phenomena in a flowing …
Investigation Of Heart Rate Variability During Sleep Apnea, Sekar Subramanian
Investigation Of Heart Rate Variability During Sleep Apnea, Sekar Subramanian
Theses
Sleep apnea is a disorder, where there are repetitive pauses in respiratory flow of at least 10 seconds or longer duration, and which occur more than five times per hour. Apnea has strong modulating effects on the autonomic nervous system, with prominent heart rate variation. It can be assumed that during sleep, internal influences (sympathetic and parasympathetic nervous system activities) dominate the autonomic nervous system; in addition repetitive apneas are accompanied by a pronounced increase in average heart rate. The aim of this study was to investigate the heart rate variability using spectral analysis and time-frequency analysis during sleep apnea. …
Chemical Vapor Deposition Of Polymeric Films, Chi Yu
Chemical Vapor Deposition Of Polymeric Films, Chi Yu
Theses
Poly-peri-naphthalene (PPN) is a one-dimensional (1 -D) graphite polymer with unique planar ladder-like conjugated molecular structure. PPN was predicted to be a good intrinsic conductor and have high thermal stability and high environmental stability.
In this project, chemical vapor deposition (CVD) and plasma enhanced chemical vapor deposition (PECVD) of carbon films with PPN structure using PTCDA as precursor were carried out under different conditions. There is only limited information in literature on the synthesis of PPN films by PECVD process, which may allow deposition at a higher rate with lower substrate temperature. In this work the influence of deposition parameters, …
Magneto-Rheological Fluid Orthosis For Suppressing Tremor, Hyoung-Joo Yeo
Magneto-Rheological Fluid Orthosis For Suppressing Tremor, Hyoung-Joo Yeo
Theses
Tremor is a common movement disorder that occurs with specific neurological conditions. This condition may seriously impact daily living activities. The aim of the present study is to evaluate the possibility of the development of a wearable technology that is capable of exerting torques at a user's joints for suppressing tremor.
This thesis is based on the concept of "smart structures" which are made of Magneto-Rheological (MR) fluid that can dynamically alter its viscosity under magnetic field. The wearable tremor suppressing orthosis needs several conditions. It should be safe, light weight, simple and small in structure, and easily attachable. An …
Mechano-Biological Interactions Of Endothelial Cells, Claire Brougham, Karen Coughlan, Valerie Barron, Peter Mchugh
Mechano-Biological Interactions Of Endothelial Cells, Claire Brougham, Karen Coughlan, Valerie Barron, Peter Mchugh
Conference Papers
Atherosclerosis is an ever-increasing cause of morbidity in the western world. Current surgical treatments include bypass grafts and coronary artery stents. However, there is still a need for alternative approaches especially for those who cannot receive conventional therapy. Tissue engineering is one such approach that may hold the key to the repair and regeneration. Tissue engineering is one such approach that may hold the key to the repair and regeneration of coronary arteries. Nevertheless, many questions need to be answered before a vialbe vascular tissie with the inherent properties of native tissue becomes a real contender with the surgical therapies …
Transcriptome-Based Determination Of Multiple Transcription Regulator Activities In Escherichia Coli By Using Network Component Analysis, Katy Kao, Young-Lyeol Yang, Riccardo Boscolo, Chiara Sabatti, Vwani Roychowdhury, James Liao
Transcriptome-Based Determination Of Multiple Transcription Regulator Activities In Escherichia Coli By Using Network Component Analysis, Katy Kao, Young-Lyeol Yang, Riccardo Boscolo, Chiara Sabatti, Vwani Roychowdhury, James Liao
Faculty Publications
Cells adjust gene expression profiles in response to environmental and physiological changes through a series of signal transduction pathways. Upon activation or deactivation, the terminal regulators bind to or dissociate from DNA, respectively, and modulate transcriptional activities on particular promoters. Traditionally, individual reporter genes have been used to detect the activity of the transcription factors. This approach works well for simple, non-overlapping transcription pathways. For complex transcriptional networks, more sophisticated tools are required to deconvolute the contribution of each regulator. Here, we demonstrate the utility of network component analysis in determining multiple transcription factor activities based on transcriptome profiles and …
Some Systemic Issues In The Development Of The Aerospace Industry Technical Workforce Of The Future, John H. Mcmasters, Russell M. Cummings
Some Systemic Issues In The Development Of The Aerospace Industry Technical Workforce Of The Future, John H. Mcmasters, Russell M. Cummings
Aerospace Engineering
This paper is a continuation of the authors’ previous examinations of a suite of issues surrounding the putative decline in aeronautics in this country. The purpose of this paper is to discuss three specific issues believed to be of particular importance to the future of our industry. The first is the question of how many engineers we may need in our future as we confront the problem of an aging workforce and the globalization of our industry. The second is the question of what skills and abilities these engineers will need to possess as the overall industry continues to evolve. …
Airplane Design And The Biomechanics Of Flight – A More Completely Multi- Disciplinary Perspective, John H. Mcmasters, Russell M. Cummings
Airplane Design And The Biomechanics Of Flight – A More Completely Multi- Disciplinary Perspective, John H. Mcmasters, Russell M. Cummings
Aerospace Engineering
Aeronautics is usually presumed to have started as a formal engineering discipline somewhere in historical time between the mythological experiments of Daedalus and his ill-fated son, Icarus; and the dreams and schemes of Leonardo da Vinci during the Italian Renaissance. As reviewed in this paper, “aeronautics” has a far longer history, extending over a period of about 300 million years beginning with the evolution of the ability of insects to fly. With the advent of the success of the Wright brothers, technologists quickly turned their attention from the inspirations and lessons provided by natural models of flying machines to …
Total Reduced Sulfur Concentrations In The Vicinity Of Beef Cattle Feedlots, Richard K. Koelsch, Bryan L. Woodbury, David E. Stenberg, Daniel N. Miller, Dennis D. Schulte
Total Reduced Sulfur Concentrations In The Vicinity Of Beef Cattle Feedlots, Richard K. Koelsch, Bryan L. Woodbury, David E. Stenberg, Daniel N. Miller, Dennis D. Schulte
Department of Agricultural and Biological Systems Engineering: Faculty Publications
A field survey of total reduced sulfur (TRS) concentrations in the vicinity of beef cattle feedlots was conducted to compare field observations against current regulatory thresholds. In addition, environmental factors that may contribute to increased TRS emissions were evaluated. It was observed that TRS levels in the vicinity of beef cattle feedlots are not likely to exceed current regulatory thresholds used by midwestern states. It was further noted that concentration of TRS varies with air temperature and time of day. However, wet feedlot surface conditions and wind speed had almost no impact upon observed concentrations.
Interfaces, Volume 7, Issue 1 - Winter 2004
Interfaces, Volume 7, Issue 1 - Winter 2004
INTERFACES: Newsletter of the Nebraska Center for Materials and Nanoscience
Facility Focus (I): Multipurpose X-Ray System Zeng Named Guggenheim Fellow Sigma Xi Honors to CMRA Faculty, Staff and Students Best Paper Awards Degree of Doctor Honoris Causa Recent Patents Facility Focus(II): Equipment Upgrade in Electron Microscopy CMRA Welcomes Fereydoon Namavar Research Spotlight: Stephen Ducharme Spinning Continuous Fibers for Nanotechnology
Potential Effects Of Long-Lead Hydrologic Predictability On Missouri River Main-Stem Reservoirs, Edwin P. Maurer, Dennis P. Lettenmaier
Potential Effects Of Long-Lead Hydrologic Predictability On Missouri River Main-Stem Reservoirs, Edwin P. Maurer, Dennis P. Lettenmaier
Civil, Environmental and Sustainable Engineering
Understanding the links between remote conditions, such as tropical sea surface temperatures, and regional climate has the potential to improve streamflow predictions, with associated economic benefits for reservoir operation. Better definition of land surface moisture states (soil moisture and snow water storage) at the beginning of the forecast period provides an additional source of streamflow predictability. The value of long-lead predictive skill added by climate forecast information and land surface moisture states in the Missouri River basin is examined. Forecasted flows were generated that represent predictability achievable through knowledge of climate, snow, and soil moisture states. For the current main-stem …
The Effect Of Loading On Disturbance Sounds Of The Atlantic Croaker Micropogonius Undulatus: Air Versus Water, Michael L. Fine, Justin Schrinel, Timothy M. Cameron
The Effect Of Loading On Disturbance Sounds Of The Atlantic Croaker Micropogonius Undulatus: Air Versus Water, Michael L. Fine, Justin Schrinel, Timothy M. Cameron
Biology Publications
Physiological work on fish sound production may require exposure of the swimbladder to air, which will change its loading (radiation mass and resistance) and could affect parameters of emitted sounds. This issue was examined in Atlantic croaker Micropogonius chromis by recording sounds from the same individuals in air and water. Although sonograms appear relatively similar in both cases, pulse duration is longer because of decreased damping, and sharpness of tuning (Q factor) is higher in water. However, pulse repetition rate and dominant frequency are unaffected. With appropriate caution it is suggested that sounds recorded in air can provide a useful …
Mem's Optical Pyrometer, Edward Camacho
Mem's Optical Pyrometer, Edward Camacho
Journal of the Microelectronic Engineering Conference
Measuring temperature accurately has been and still is a topic of interest in various professional fields such as Astronomy, Biology, Physics and Medicine. An optical pyrometer has great potential in these fields, because it can optically capture a body’s black body radiation and determine a temperature value of the body in question. This technology is well known, yet it is still gaining grounds as new uses are found. In this project a temperature sensor using Mentor Graphics was design, second a four level mask was made into one reticle. Third fabrication of the optical sensor took place using typical process …
A Docking Score Function For Estimating Ligand-Protein Interactions: Application To Acetylcholinesterase Inhibition, Jianxin Guo, Margaret M. Hurley, Jeffery B. Wright, Gerald H. Lushington
A Docking Score Function For Estimating Ligand-Protein Interactions: Application To Acetylcholinesterase Inhibition, Jianxin Guo, Margaret M. Hurley, Jeffery B. Wright, Gerald H. Lushington
United States Army: Publications
Acetylcholinesterase (AChE) inhibition is an important research topic because of its wide range of associated health implications. A receptor-specific scoring function was developed herein for predicting binding affinities for human AChE (huAChE) inhibitors. This method entails a statistically trained weighted sum of electrostatic and van der Waals (VDW) interactions between ligands and the receptor residues. Within the 53 ligand training set, a strong correlation was found (R2 = 0.89) between computed and experimental inhibition constants. Leave-oneout cross-validation indicated high predictive power (Q2 = 0.72), and analysis of a separate 16-compound test set also produced very good correlation with …