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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Dynamics of microorganism populations in recirculating nutrient solutions

This overview covers the basic microbial ecology of recirculating hydroponic solutions. Examples from NASA and Soviet Controlled Ecological Life Support Systems (CELSS) tests and the commercial hydroponic industry will be used. The sources of microorganisms in nutrient solutions include air, water, seeds, plant containers and plumbing, biological vectors, and personnel. Microbial fates include growth, death, and emigration. Important microbial habitats within nutrient delivery systems are root surfaces, hardware surfaces (biofilms), and solution suspension. Numbers of bacteria on root surfaces usually exceed those from the other habitats by several orders of magnitude. Gram negative bacteria dominate the microflora with fungal counts usually much lower. Trends typically show a decrease in counts with increasing time unless stressed plants increase root exudates. Important microbial activities include carbon mineralization and nitrogen transformations. Important detrimental interactions include competition with plants, and human and plant pathogenesis.

Strayer, R. F.↗
NASA NTRS1994

Dynamics of microorganism populations in recirculating nutrient solutions

This overview covers the basic microbial ecology of recirculating hydroponic solutions. Examples from NASA and Soviet CELSS tests and the commercial hydroponic industry will be used. The sources of microorganisms in nutrient solutions include air, water, seeds, plant containers and plumbing, biological vectors, and personnel. Microbial fates include growth, death, and emigration. Important microbial habitats within nutrient delivery systems are root surfaces, hardware surfaces (biofilms), and solution suspension. Numbers of bacteria on root surfaces usually exceed those from the other habitats by several orders of magnitude. Gram negative bacteria dominate the microflora with fungal counts usually much lower. Trends typically show a decrease in counts with increasing time unless stressed plants increase root exudates. Important microbial activities include carbon mineralization and nitrogen transformations. Important detrimental interactions include competition with plants, and human and plant pathogenesis.

Strayer, R. F.↗
NASA NTRS2007

Development of Numerical Tools for the Investigation of Plasma Detachment from Magnetic Nozzles

A multidimensional numerical simulation framework aimed at investigating the process of plasma detachment from a magnetic nozzle is introduced. An existing numerical code based on a magnetohydrodynamic formulation of the plasma flow equations that accounts for various dispersive and dissipative processes in plasmas was significantly enhanced to allow for the modeling of axisymmetric domains containing three.dimensiunai momentum and magnetic flux vectors. A separate magnetostatic solver was used to simulate the applied magnetic field topologies found in various nozzle experiments. Numerical results from a magnetic diffusion test problem in which all three components of the magnetic field were present exhibit excellent quantitative agreement with the analytical solution, and the lack of numerical instabilities due to fluctuations in the value of del(raised dot)B indicate that the conservative MHD framework with dissipative effects is well-suited for multi-dimensional analysis of magnetic nozzles. Further studies will focus on modeling literature experiments both for the purpose of code validation and to extract physical insight regarding the mechanisms driving detachment.

Sankaran, Kamesh↗
NASA NTRS2008

NASA Tech Briefs, February 2008

Topics discussed include: Optical Measurement of Mass Flow of a Two-Phase Fluid; Selectable-Tip Corrosion-Testing Electrochemical Cell; Piezoelectric Bolt Breakers and Bolt Fatigue Testers; Improved Measurement of B(sub 22) of Macromolecules in a Flow Cell; Measurements by a Vector Network Analyzer at 325 to 508 GHz; Using Light to Treat Mucositis and Help Wounds Heal; Increasing Discharge Capacities of Li-(CF)(sub n) Cells; Dot-in-Well Quantum-Dot Infrared Photodetectors; Integrated Microbatteries for Implantable Medical Devices; Oxidation Behavior of Carbon Fiber-Reinforced Composites; GIDEP Batching Tool; Generic Spacecraft Model for Real-Time Simulation; Parallel-Processing Software for Creating Mosaic Images; Software for Verifying Image-Correlation Tie Points; Flexcam Image Capture Viewing and Spot Tracking; Low-Pt-Content Anode Catalyst for Direct Methanol Fuel Cells; Graphite/Cyanate Ester Face Sheets for Adaptive Optics; Atomized BaF2-CaF7 for Better-Flowing Plasma-Spray Feedstock; Nanophase Nickel-Zirconium Alloys for Fuel Cells; Vacuum Packaging of MEMS With Multiple Internal Seal Rings; Compact Two-Dimensional Spectrometer Optics; and Fault-Tolerant Coding for State Machines.

Source record↗
NASA NTRS2017

Smashing the Stovepipe: Leveraging the GMSEC Open Architecture and Advanced IT Automation to Rapidly Prototype, Develop and Deploy Next-Generation Multi-Mission Ground Systems

Satellite/Payload Ground Systems - Typically highly-customized to a specific mission's use cases - Utilize hundreds (or thousands!) of specialized point-to-point interfaces for data flows / file transfers Documentation and tracking of these complex interfaces requires extensive time to develop and extremely high staffing costs Implementation and testing of these interfaces are even more cost-prohibitive, and documentation often lags behind implementation resulting in inconsistencies down the road With expanding threat vectors, IT Security, Information Assurance and Operational Security have become key Ground System architecture drivers New Federal security-related directives are generated on a daily basis, imposing new requirements on current / existing ground systems - These mandated activities and data calls typically carry little or no additional funding for implementation As a result, Ground System Sustaining Engineering groups and Information Technology staff continually struggle to keep up with the rolling tide of security Advancing security concerns and shrinking budgets are pushing these large stove-piped ground systems to begin sharing resources - I.e. Operational / SysAdmin staff, IT security baselines, architecture decisions or even networks / hosting infrastructure Refactoring these existing ground systems into multi-mission assets proves extremely challenging due to what is typically very tight coupling between legacy components As a result, many "Multi-Mission" ops. environments end up simply sharing compute resources and networks due to the difficulty of refactoring into true multi-mission systems Utilizing continuous integration / rapid system deployment technologies in conjunction with an open architecture messaging approach allows System Engineers and Architects to worry less about the low-level details of interfaces between components and configuration of systems GMSEC messaging is inherently designed to support multi-mission requirements, and allows components to aggregate data across multiple homogeneous or heterogeneous satellites or payloads - The highly-successful Goddard Science and Planetary Operations Control Center (SPOCC) utilizes GMSEC as the hub for it's automation and situational awareness capability Shifts focus towards getting GS to a final configuration-managed baseline, as well as multi-mission / big-picture capabilities that help increase situational awareness, promote cross-mission sharing and establish enhanced fleet management capabilities across all levels of the enterprise.

GMSEC↗
DOE OSTI2024

Muon spin force

Current discrepancy between the measurement and the prediction of the muon anomalous magnetic moment can be resolved in the presence of a long-range force created by ordinary atoms acting on the muon spin via axial-vector and/or pseudoscalar coupling, and requiring a tiny O⁡(10 –13 eV) spin energy splitting between muon state polarized in the vertical direction. We suggest that an extension of the muon spin resonance (μ⁢SR) experiments can provide a definitive test of this class of models. We also derive indirect constraints on the strength of the muon spin force by considering the muon-loop-induced interactions between nuclear spin and external directions. The limits on the muon spin force extracted from the comparison of 199 Hg/ 201 Hg and 129 Xe/ 131 Xe spin precession are strong for the pseudoscalar coupling but are significantly relaxed for the axial-vector one. These limits suffer from significant model uncertainties, poorly known proton/neutron spin content of these nuclei, and therefore do not exclude the possibility of a muon spin force relevant for the muon g – 2.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

A multi-dimensional Smolyak collocation method in curvilinear coordinates for computing vibrational spectra

In this paper, we improve the collocation method for computing vibrational spectra that was presented in Avila and Carrington, Jr. [J. Chem. Phys. 139, 134114 (2013)]. Using an iterative eigensolver, energy levels and wavefunctions are determined from values of the potential on a Smolyak grid. The kinetic energy matrix-vector product is evaluated by transforming a vector labelled with (nondirect product) grid indices to a vector labelled by (nondirect product) basis indices. Both the transformation and application of the kinetic energy operator (KEO) scale favorably. Collocation facilitates dealing with complicated KEOs because it obviates the need to calculate integrals of coordinate dependent coefficients of differential operators. The ideas are tested by computing energy levels of HONO using a KEO in bond coordinates.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Dark energy survey year 3 results: Cosmological constraints from cluster abundances, weak lensing, and galaxy clustering

Galaxy clusters provide a unique probe of the late-time cosmic structure and serve as a powerful independent test of the Λ⁢CDM model. This work presents the first set of cosmological constraints derived with ∼16,000 optically selected redMaPPer clusters across nearly 5000 deg 2 using DES year 3 datasets. Our analysis leverages a consistent modeling framework for galaxy cluster cosmology and DES-Y3 joint analyses of galaxy clustering and weak lensing (3 × 2⁢pt), ensuring direct comparability with the DES-Y3 3 × 2⁢pt analysis. Here, we obtain constraints of 𝑆 8 = 0.864 ± 0.035 and Ω m = $0.26⁢5^{+0.019}_{−0.031}$ from the cluster-based data vector. We find that cluster constraints and 3 × 2⁢pt constraints are consistent under the Λ⁢CDM model with a posterior predictive distribution (PPD) value of 0.53. The consistency between clusters and 3 × 2⁢pt provides a stringent test of Λ⁢CDM across different mass and spatial scales. Jointly analyzing clusters with 3 × 2⁢pt further improves cosmological constraints, yielding 𝑆 8 = $0.81⁢1^{+0.022}_{−0.020}$ and Ω m = $0.29⁢4^{+0.022}_{−0.033}$, a 24% improvement in the Ω m − 𝑆 8 figure of merit over 3 × 2⁢pt alone. Moreover, we find no significant deviation from the Planck CMB constraints with a probability to exceed (PTE) value of 0.6, significantly reducing previous 𝑆 8 tension claims. Finally, combining DES 3 × 2⁢pt, DES clusters, and Planck CMB places an upper limit on the sum of neutrino masses of ∑𝑚 𝜈 < 0.26 eV at 95% confidence under the Λ⁢CDM model. These results establish optically selected clusters as a key cosmological probe and pave the way for cluster-based analyses in upcoming stage-IV surveys such as LSST, Euclid, and Roman.

Abbott, T. M. C. [NSF’s National Optical-Infrared ↗
NASA NTRS1994

Implementation of a state of the art automated system for the production of cloud/water vapor motion winds from geostationary satellites

The thrust of the proposed effort under this contract is aimed at improving techniques to track water vapor data in sequences of imagery from geostationary satellites. In regards to this task, significant testing, evaluation, and progress was accomplished during this period. Sets of winds derived from Meteosat data were routinely produced during Atlantic hurricane events in the 1993 season. These wind sets were delivered via Internet in real time to the Hurricane Research Division in Miami for their evaluation in a track forecast model. For eighteen cases in which 72-hour forecasts were produced, thirteen resulted in track forecast improvements (some quite significant). In addition, quality-controlled Meteosat water vapor winds produced by NESDIS were validated against rawinsondes, yielding an 8 m/s RMS. This figure is comparable to upper-level cloud drift wind accuracies. Given the complementary horizontal coverage in cloud-free areas, we believe that water vapor vectors can supplement cloud-drift wind information to provide good full-disk coverage of the upper tropospheric flow. The impact of these winds on numerical analysis and forecasts will be tested in the next reporting period.

Velden, Christopher S.↗
NASA NTRS1981

MAGSAT: Vector magnetometer absolute sensor alignment determination

A procedure is described for accurately determining the absolute alignment of the magnetic axes of a triaxial magnetometer sensor with respect to an external, fixed, reference coordinate system. The method does not require that the magnetic field vector orientation, as generated by a triaxial calibration coil system, be known to better than a few degrees from its true position, and minimizes the number of positions through which a sensor assembly must be rotated to obtain a solution. Computer simulations show that accuracies of better than 0.4 seconds of arc can be achieved under typical test conditions associated with existing magnetic test facilities. The basic approach is similar in nature to that presented by McPherron and Snare (1978) except that only three sensor positions are required and the system of equations to be solved is considerably simplified. Applications of the method to the case of the MAGSAT Vector Magnetometer are presented and the problems encountered discussed.

Acuna, M. H.↗
DOE OSTI2022

Machine learning models for rat multigeneration reproductive toxicity prediction

Reproductive toxicity is one of the prominent endpoints in the risk assessment of environmental and industrial chemicals. Due to the complexity of the reproductive system, traditional reproductive toxicity testing in animals, especially guideline multigeneration reproductive toxicity studies, take a long time and are expensive. Therefore, machine learning, as a promising alternative approach, should be considered when evaluating the reproductive toxicity of chemicals. We curated rat multigeneration reproductive toxicity testing data of 275 chemicals from ToxRefDB (Toxicity Reference Database) and developed predictive models using seven machine learning algorithms (decision tree, decision forest, random forest, k-nearest neighbors, support vector machine, linear discriminant analysis, and logistic regression). A consensus model was built based on the seven individual models. An external validation set was curated from the COSMOS database and the literature. The performances of individual and consensus models were evaluated using 500 iterations of 5-fold cross-validations and the external validation data set. The balanced accuracy of the models ranged from 58% to 65% in the 5-fold cross-validations and 45%–61% in the external validations. Prediction confidence analysis was conducted to provide additional information for more appropriate applications of the developed models. The impact of our findings is in increasing confidence in machine learning models. We demonstrate the importance of using consensus models for harnessing the benefits of multiple machine learning models (i.e., using redundant systems to check validity of outcomes). While we continue to build upon the models to better characterize weak toxicants, there is current utility in saving resources by being able to screen out strong reproductive toxicants before investing in vivo testing. The modeling approach (machine learning models) is offered for assessing the rat multigeneration reproductive toxicity of chemicals. Our results suggest that machine learning may be a promising alternative approach to evaluate the potential reproductive toxicity of chemicals.

consensus model↗
NASA NTRS2009

Flight Test Performance of a High Precision Navigation Doppler Lidar

A navigation Doppler Lidar (DL) was developed at NASA Langley Research Center (LaRC) for high precision velocity measurements from a lunar or planetary landing vehicle in support of the Autonomous Landing and Hazard Avoidance Technology (ALHAT) project. A unique feature of this DL is that it has the capability to provide a precision velocity vector which can be easily separated into horizontal and vertical velocity components and high accuracy line of sight (LOS) range measurements. This dual mode of operation can provide useful information, such as vehicle orientation relative to the direction of travel, and vehicle attitude relative to the sensor footprint on the ground. System performance was evaluated in a series of helicopter flight tests over the California desert. This paper provides a description of the DL system and presents results obtained from these flight tests.

Pierrottet, Diego↗
NASA NTRS1996

Comparison of Aero/Propulsion Transition Characteristics for a Joint Strike Fighter Configuration

NASA Ames conducted a series tests of a large-scale powered model of Lockheed Martin Skunk Works' JSF STOVL configuration at the 80- by 120-Foot Wind Tunnel. The model uses a modified version of an F-16 fighter engine (a Pratt & Whitney F100-229 engine). To provide vertical flight capability, the Lockheed aircraft incorporates a forward fuselage mounted vertical lift fan in addition to an aft mounted vectoring nozzle all driven by a single engine. The lift fan is driven off the engine by means of a shaft and gear system. The data presented is for STOVL configuration 140, a wing-body-canard planform. The main goal of this testing was to obtain propulsion induced data for evaluating differences between small- and large-scale model testing during the transition flight regime between jet- and wing-borne flight. The data presented is from aerodynamic testing of the model in both the unpowered (engine-off) and powered (engine running) configurations. This data, when combined with the propulsion system thrust calibration data from the NASA Ames' Outdoor Aerodynamic Research Facility (OARF), is used to determine the propulsion induced effects during transition.

Naumowicz, Tim↗
DOE OSTI2017

Dark Energy Survey Year 1 Results: Multi-Probe Methodology and Simulated Likelihood Analyses

We present the methodology for and detail the implementation of the Dark Energy Survey (DES) 3x2pt DES Year 1 (Y1) analysis, which combines configuration-space two-point statistics from three different cosmological probes: cosmic shear, galaxy-galaxy lensing, and galaxy clustering, using data from the first year of DES observations. We have developed two independent modeling pipelines and describe the code validation process. We derive expressions for analytical real-space multi-probe covariances, and describe their validation with numerical simulations. We stress-test the inference pipelines in simulated likelihood analyses that vary 6-7 cosmology parameters plus 20 nuisance parameters and precisely resemble the analysis to be presented in the DES 3x2pt analysis paper, using a variety of simulated input data vectors with varying assumptions. We find that any disagreement between pipelines leads to changes in assigned likelihood $\Delta \chi^2 \le 0.045$ with respect to the statistical error of the DES Y1 data vector. We also find that angular binning and survey mask do not impact our analytic covariance at a significant level. We determine lower bounds on scales used for analysis of galaxy clustering (8 Mpc$~h^{-1}$) and galaxy-galaxy lensing (12 Mpc$~h^{-1}$) such that the impact of modeling uncertainties in the non-linear regime is well below statistical errors, and show that our analysis choices are robust against a variety of systematics. These tests demonstrate that we have a robust analysis pipeline that yields unbiased cosmological parameter inferences for the flagship 3x2pt DES Y1 analysis. We emphasize that the level of independent code development and subsequent code comparison as demonstrated in this paper is necessary to produce credible constraints from increasingly complex multi-probe analyses of current data.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1999

Spatial Orientation and Balance Control Changes Induced by Altered Gravito-Inertial Force Vectors

Seventeen healthy and eight vestibular deficient subjects were exposed to an interaural centripetal acceleration of 1 G (resultant 45 deg roll tilt of 1.4 G) on a 0.8 meter radius centrifuge for a period of 90 minutes in the dark. The subjects sat with head fixed upright, except every 4 of 10 minutes when instructed to rotate their head so that their nose and eyes pointed towards a visual point switched on every 3 to 5 seconds at random places (within +/- 30 deg) in the Earth horizontal plane. Motion sickness caused some subjects to limit their head movements during significant portions of the 90 minute period, and led three normal subjects to stop the test earlier. Eye movements, including directed saccades for subjective Earth- and head-referenced planes, were recorded before, during, and immediately after centrifugation using electro-oculography. Postural stability measurements were made before and within ten minutes after centrifugation. In normal subjects, postural sway and multisegment body kinematics were gathered during an eyes-closed head movement cadence (sway-referenced support platform), and in response to translational/rotational platform perturbations. A significant increase in postural sway, segmental motion amplitude and hip frequency was observed after centrifugation. This effect was short-lived, with a recovery time of several postural test trials. There were also asymmetries in the direction of post-centrifugation center of sway and head tilt which depended on the subject's orientation during the centrifugation adaptation period (left ear or right ear out). To delineate the effect of the magnitude of the gravito-inertial vector versus its direction during the adaptive centrifugation period, we tilted eight normal subjects in the roll axis at a 45 deg angle in the dark for 90 minutes without rotational motion. Their postural responses did not change following the period of tilt. Based on verbal reports, normal subjects overestimated roll-tilt during 90 minutes of both tilt and centrifugation stimuli. Subjective estimates of head-horizontal, provided by directed saccades, revealed significant errors after approximately 30 minutes that tended to increase only in the group who underwent centrifugation. Immediately after centrifugation, subjects reported feeling tilted on average 10 degrees in the opposite direction, which was in agreement with the direction of their earth-directed saccades. In vestibular deficient (VD) subjects, postural sway was measured using a sway-referenced or earth-fixed support surface, and with or without a head movement sequence. 'Me protocol was selected for each patient during baseline testing, and corresponded to the most challenging condition in which the patient was able to maintain balance with eyes closed. Bilaterally VD subjects showed no postural decrement after centrifugation, while unilateral VD subjects had varying degrees of decrement. Unilateral VD subjects were tested twice; they underwent centrifugation both with right ear out and left ear out. Their post-centrifuation center of sway shifted at right angles depending on the centrifuge GIF orientation. Bilateral VD subjects bad shifts as well, but no consistent directional trend. VD subjects underestimated roll-tilt during centrifugation, These results suggest that orientation of the gravito-inertial vector and its magnitude arc both used by the central nervous system for calibration of multiple orientation systems. A change in the background gravito-inertial force (otolith input) can rapidly initiate postural and perceptual adaptation in several sensorimotor systems, independent of a structured visual surround.

Kaufman, Galen D.↗
DOE OSTI2017

Macdonald index and chiral algebra

For any 4dN = 2 SCFT, there is a subsector described by a 2d chiral algebra. The vacuum character of the chiral algebra reproduces the Schur index of the corresponding 4d theory. The Macdonald index counts the same set of operators as the Schur index, but the former has one more fugacity than the latter. Here, we conjecture a prescription to obtain the Macdonald index from the chiral algebra. The vacuum module admits a filtration, from which we construct an associated graded vector space. From this grading, we conjecture a notion of refined character for the vacuum module of a chiral algebra, which reproduces the Macdonald index. We test this prescription for the Argyres-Douglas theories of type (A 1 , A 2n ) and (A 1 , D 2n+1 ) where the chiral algebras are given by Virasoro and $ˆ\atop{su}$(2) affine Kac-Moody algebra. When the chiral algebra has more than one family of generators, our prescription requires a knowledge of the generators from the 4d.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Grid and basis adaptive polynomial chaos techniques for sensitivity and uncertainty analysis

The demand for accurate and computationally affordable sensitivity and uncertainty techniques is constantly on the rise and has become especially pressing in the nuclear field with the shift to Best Estimate Plus Uncertainty methodologies in the licensing of nuclear installations. Besides traditional, already well developed methods – such as first order perturbation theory or Monte Carlo sampling – Polynomial Chaos Expansion (PCE) has been given a growing emphasis in recent years due to its simple application and good performance. This paper presents new developments of the research done at TU Delft on such Polynomial Chaos (PC) techniques. Our work is focused on the Non-Intrusive Spectral Projection (NISP) approach and adaptive methods for building the PCE of responses of interest. Recent efforts resulted in a new adaptive sparse grid algorithm designed for estimating the PC coefficients. The algorithm is based on Gerstner's procedure for calculating multi-dimensional integrals but proves to be computationally significantly cheaper, while at the same it retains a similar accuracy as the original method. More importantly the issue of basis adaptivity has been investigated and two techniques have been implemented for constructing the sparse PCE of quantities of interest. Not using the traditional full PC basis set leads to further reduction in computational time since the high order grids necessary for accurately estimating the near zero expansion coefficients of polynomial basis vectors not needed in the PCE can be excluded from the calculation. Moreover the sparse PC representation of the response is easier to handle when used for sensitivity analysis or uncertainty propagation due to the smaller number of basis vectors. The developed grid and basis adaptive methods have been implemented in Matlab as the Fully Adaptive Non-Intrusive Spectral Projection (FANISP) algorithm and were tested on four analytical problems. These show consistent good performance both in terms of the accuracy of the resulting PC representation of quantities and the computational costs associated with constructing the sparse PCE. Basis adaptivity also seems to make the employment of PC techniques possible for problems with a higher number of input parameters (15–20), alleviating a well known limitation of the traditional approach. The prospect of larger scale applicability and the simplicity of implementation makes such adaptive PC algorithms particularly appealing for the sensitivity and uncertainty analysis of complex systems and legacy codes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Decoding substrate specificity determining factors in glycosyltransferase-B enzymes – insights from machine learning models

Substrate specificity is an essential characteristic of any enzyme's function and an understanding of the factors that determine this specificity is crucial for enzyme engineering. Unlike the structure of an enzyme which is directly impacted by its sequence, substrate specificity as an enzyme attribute involves a rather indirect relationship with sequence as it also depends on structural aspects that dictate substrate accessibility and active site dynamics. In this study, we explore the performance of classifier-based machine learning models trained on curated sequence and structural data for a class of glycosyltransferases (GTs), namely GT-Bs, to understand their substrate specificity determining factors. GTs enable the transfer of sugar moieties to other biomolecules such as oligosaccharides or proteins and are found in all kingdoms of life. In plants, GTs participate in the biosynthesis of plant cell wall biopolymers (e.g.: hemicelluloses and pectins) and are an integral part of the enzymatic machinery that enables the storage of carbon and energy as plant biomass. To elucidate the substrate specificity of uncharacterized GT-Bs, we constructed multi-label machine learning models (Support Vector Classifier, K-Nearest Neighbors, Gaussian Naïve-Bayes, Random Forest) that incorporate both sequence and structural features. These models achieve good predictive accuracies on test datasets. However, despite our use of structural information, we highlight that there is further scope for improvement in training these models to draw interpretable relationships between sequence, structure and substrate specificity determining motifs in GT-Bs.

97 MATHEMATICS AND COMPUTING↗