Known compounds and new lessons: structural and electronic basis of flavonoid-based bioactivities by Rohan J. Meshram (6563189)

“…Abbreviations2′HFN-2′</p><p>hydroxy flavonone</p>2D<p>2 dimension</p>3D<p>3 dimension</p>3H7MF<p>3-hydroxy-7-methoxy flavone</p>4′HFN-4′<p>hydroxy flavonone</p>4′MF- 4′<p>methoxy flavone</p>7HFN<p>7-hydroxy flavonone</p>CHARMM<p>Chemistry at Harvard Macromolecular Mechanics</p>COX<p>cyclooxygenase</p>COX-1<p>cyclooxygenase-1</p>COX-2<p>cyclooxygenase-2</p>DM<p>dipole moment</p>DPPH- 2, 2<p>diphenyl-1-picryl hydrazine</p>EA<p>electron affinities</p>EGFR<p>epidermal growth factor receptor</p>E-HOMO<p>Highest occupied molecular orbital energy</p>E-LUMO<p>Lowest unoccupied molecular orbital energy</p>EPA<p>eicosapentaenoic acid</p>FROG2<p>FRee Online druG conformation generation</p>GA<p>Genetic Algorithm</p>GROMACS<p>GROningen MAchine for Chemical Simulations</p>HOMO<p>Highest occupied molecular orbital</p>IP<p>Ionization potential</p>LOMO<p>Lowest unoccupied molecular orbital</p>MD<p>Molecular dynamics</p>MO<p>Molecular orbital</p>NAMD<p>Nanoscale Molecular Dynamics</p>NSAIDs<p>Non-Steroidal Anti Inflammatory Drugs</p>Ns<p>nanoseconds</p>NVE<p>Ensemble-constant-energy, constant-volume, Constant particle ensemble</p>PDB-ID<p>Protein Data Bank Identifier</p>PME<p>Particle Mesh Ewald</p>PyRX<p>Python Prescription</p>RMSD<p>Root-Mean-Square Deviation</p>RMSF<p>Root-Mean-Square Fluctuation</p>RLS<p>reactive lipid species</p>ROS<p>Reactive Oxygen Species</p>SASA<p>solvent accessible surface area</p>SMILES<p>simplified molecular-input line-entry system</p>SOR<p>superoxide anion radical</p>UFF<p>Universal force field</p>VEGF<p>vascular endothelial growth factor</p>VEGFR<p>vascular endothelial growth factor receptor</p>VMD<p>Visual molecular dynamics</p><p></p> <p>hydroxy flavonone</p> <p>2 dimension</p> <p>3 dimension</p> <p>3-hydroxy-7-methoxy flavone</p> <p>hydroxy flavonone</p> <p>methoxy flavone</p> <p>7-hydroxy flavonone</p> <p>Chemistry at Harvard Macromolecular Mechanics</p> <p>cyclooxygenase</p> <p>cyclooxygenase-1</p> <p>cyclooxygenase-2</p> <p>dipole moment</p> <p>diphenyl-1-picryl hydrazine</p> <p>electron affinities</p> <p>epidermal growth factor receptor</p> <p>Highest occupied molecular orbital energy</p> <p>Lowest unoccupied molecular orbital energy</p> <p>eicosapentaenoic acid</p> <p>FRee Online druG conformation generation</p> <p>Genetic Algorithm</p> <p>GROningen MAchine for Chemical Simulations</p> <p>Highest occupied molecular orbital</p> <p>Ionization potential</p> <p>Lowest unoccupied molecular orbital</p> <p>Molecular dynamics</p> <p>Molecular orbital</p> <p>Nanoscale Molecular Dynamics</p> <p>Non-Steroidal Anti Inflammatory Drugs</p> <p>nanoseconds</p> <p>Ensemble-constant-energy, constant-volume, Constant particle ensemble</p> <p>Protein Data Bank Identifier</p> <p>Particle Mesh Ewald</p> <p>Python Prescription</p> <p>Root-Mean-Square Deviation</p> <p>Root-Mean-Square Fluctuation</p> <p>reactive lipid species</p> <p>Reactive Oxygen Species</p> <p>solvent accessible surface area</p> <p>simplified molecular-input line-entry system</p> <p>superoxide anion radical</p> <p>Universal force field</p> <p>vascular endothelial growth factor</p> <p>vascular endothelial growth factor receptor</p> <p>Visual molecular dynamics</p> <p>Communicated by Ramaswamy H. …”

PySilsub—a toolbox for silent substitution by Joel Martin (11864048)

“…Device settings that will produce lights to selectively stimulate the photoreceptor(s) of interest can be found using a variety of analytic and algorithmic approaches. Here we present <em>PySilSub</em>, a novel Python package for silent substitution featuring object-oriented support for individual colorimetric observer models, multi-primary stimulation devices, and solving silent substitution problems with linear algebra and constrained numerical optimisation. …”

Uncertainty and Novelty in Machine Learning by Derek Scott Prijatelj (20364288)

“…Through the computation of the indicator function, model identifiability and sample complexity are defined and their properties are described for different data-generating processes, ranging from deterministic to ergodic stationary stochastic processes. …”

Comparing parameter updates from predictive coding modified by the fixed prediction assumption to true gradients in a network trained on MNIST. by Robert Rosenbaum (318414)

“…Updates were computed as a function of the number of iterations, <i>n</i>, used in Algorithm 3 for various values of the step size, <i>η</i>, using the model from <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0266102#pone.0266102.g003" target="_blank">Fig 3</a> applied to one mini-batch of data. …”

Comparing parameter updates from predictive coding to true gradients in a network trained on MNIST. by Robert Rosenbaum (318414)

“…Updates were computed as a function of the number of iterations, <i>n</i>, used in Algorithm 2 for various values of the step size, <i>η</i>, using the model from <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0266102#pone.0266102.g001" target="_blank">Fig 1</a> applied to one mini-batch of data. …”

Table1_Natural and artificial selection of multiple alleles revealed through genomic analyses.xlsx by Jana Biová (11287971)

“…We tested and validated the algorithm and presented the utilization of MADis in a pod pigmentation L1 gene case study with multiple CMs from natural or artificial selection. …”

Table8_Natural and artificial selection of multiple alleles revealed through genomic analyses.xlsx by Jana Biová (11287971)

“…We tested and validated the algorithm and presented the utilization of MADis in a pod pigmentation L1 gene case study with multiple CMs from natural or artificial selection. …”

Table4_Natural and artificial selection of multiple alleles revealed through genomic analyses.xlsx by Jana Biová (11287971)

“…We tested and validated the algorithm and presented the utilization of MADis in a pod pigmentation L1 gene case study with multiple CMs from natural or artificial selection. …”

Table3_Natural and artificial selection of multiple alleles revealed through genomic analyses.xlsx by Jana Biová (11287971)

“…We tested and validated the algorithm and presented the utilization of MADis in a pod pigmentation L1 gene case study with multiple CMs from natural or artificial selection. …”

Table2_Natural and artificial selection of multiple alleles revealed through genomic analyses.xlsx by Jana Biová (11287971)

“…We tested and validated the algorithm and presented the utilization of MADis in a pod pigmentation L1 gene case study with multiple CMs from natural or artificial selection. …”

Table7_Natural and artificial selection of multiple alleles revealed through genomic analyses.docx by Jana Biová (11287971)

“…We tested and validated the algorithm and presented the utilization of MADis in a pod pigmentation L1 gene case study with multiple CMs from natural or artificial selection. …”

Table5_Natural and artificial selection of multiple alleles revealed through genomic analyses.xlsx by Jana Biová (11287971)

“…We tested and validated the algorithm and presented the utilization of MADis in a pod pigmentation L1 gene case study with multiple CMs from natural or artificial selection. …”

DataSheet1_Natural and artificial selection of multiple alleles revealed through genomic analyses.docx by Jana Biová (11287971)

“…We tested and validated the algorithm and presented the utilization of MADis in a pod pigmentation L1 gene case study with multiple CMs from natural or artificial selection. …”

Table6_Natural and artificial selection of multiple alleles revealed through genomic analyses.xlsx by Jana Biová (11287971)

“…We tested and validated the algorithm and presented the utilization of MADis in a pod pigmentation L1 gene case study with multiple CMs from natural or artificial selection. …”

Table1_Natural and artificial selection of multiple alleles revealed through genomic analyses.DOCX by Jana Biová (11287971)

“…We tested and validated the algorithm and presented the utilization of MADis in a pod pigmentation L1 gene case study with multiple CMs from natural or artificial selection. …”

Lab-on-Eyeglasses to Monitor Kidneys and Strengthen Vulnerable Populations in Pandemics: Machine Learning in Predicting Serum Creatinine Using Tear Creatinine by Surachate Kalasin (1442497)

“…The machine learning with the supervised training estimated 83.3% algorithm accuracy to distinguish among low, moderate, and high normal serum creatinine by evaluating tear creatinine. …”

Lab-on-Eyeglasses to Monitor Kidneys and Strengthen Vulnerable Populations in Pandemics: Machine Learning in Predicting Serum Creatinine Using Tear Creatinine by Surachate Kalasin (1442497)

“…The machine learning with the supervised training estimated 83.3% algorithm accuracy to distinguish among low, moderate, and high normal serum creatinine by evaluating tear creatinine. …”

Investigation of cardiac mechanics and mechanical circulatory support therapies in peripartum cardiomyopathy using machine learning and patient-specific computational modelling by Juliet Nagawa (17333779)

“…</li></ul><p dir="ltr"> <b>ANN.zip</b></p><ul><li>Matlab and Python programs used to develop machine learning algorithms and developed machine learning models.…”

Proximal mapping of the BCDX2 and CX3 complexes. by Estelle Simo Cheyou (14117131)

“…<p>(A) Schematic representing the different steps of the HR pathway and the sequential involvement of the BCDX2 and CX3 complexes during this process. …”

Table_5_MeiosisOnline: A Manually Curated Database for Tracking and Predicting Genes Associated With Meiosis.XLSX by Xiaohua Jiang (177009)

“…<p>Meiosis, an essential step in gametogenesis, is the key event in sexually reproducing organisms. …”