EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit حسب Gonzalo Colmenarejo (650249)

"…Ertl’s algorithm is an approach to extract functional groups in arbitrary organic molecules that does not depend on predefined libraries of functional groups. …"

Three-dimensional function image for testing algorithm performance. حسب Jianpeng Zhang (528185)

الموضوعات:

Convergence curves of three algorithms under different test functions. حسب Jianpeng Zhang (528185)

الموضوعات:

PR curves of three algorithms under different test functions. حسب Jianpeng Zhang (528185)

الموضوعات:

Table3_Predicting Human Protein Subcellular Locations by Using a Combination of Network and Function Features.XLSX حسب Lei Chen (54296)

"…The computational prediction of protein subcellular localizations can be performed on the basis of the sequence and the functional characteristics. …"

Comparison of assembly results of three algorithms. حسب Guohua Cao (697580)

The convergence curve of each optimization algorithm under the test function. حسب Hao Yang (328526)

Wilcoxon’s test results for EBJADE algorithms and other state-of-the-art CEA-ES algorithms using CEC2014 functions. حسب Yang Cao (53545)

"…<p>Wilcoxon’s test results for EBJADE algorithms and other state-of-the-art CEA-ES algorithms using CEC2014 functions.…"

Wilcoxon’s test results for EBJADE algorithms and other algorithms using CEC2014 functions for D = 30, 50 and 100. حسب Yang Cao (53545)

"…<p>Wilcoxon’s test results for EBJADE algorithms and other algorithms using CEC2014 functions for D = 30, 50 and 100.…"

Reverse Designing the Wavelength-Specific Thermally Activation Delayed Fluorescent Molecules Using a Genetic Algorithm Coupled with Cheap QM Methods حسب Xubin Wang (1861147)

"…A cheap QM method, i.e., INDO/CIS, on the basis of an xTB-optimized molecular geometry is applied to quickly calculate the fitness function. …"

Testing performance comparison for different algorithms. حسب Roberto Bárcenas (13924220)

Training performance comparison for different algorithms. حسب Roberto Bárcenas (13924220)

Pseudo-code of DMDDPG algorithm. حسب Guohua Cao (697580)

"…The simulation results indicate that the proposed algorithm, which models the first three joints and the last three joints of the robotic arm as multi-agents, demonstrates not only enhanced adaptability but also faster and more stable convergence.…"

Variations of loss functions versus epoch number. حسب Xueliang Guo (4797057)

The structure of genetic algorithm (GA). حسب Ali Akbar Moosavi (17769033)

"…First, physico-chemical inputs as bulk density (BD), initial water content (W_i), saturated water content (W_s), mean weight diameter (MWD), and geometric mean diameter (GMD) of aggregates, pH, electrical conductivity (EC), and calcium carbonate equivalent (CCE) were measured. Then, radial basis functions (RBFNNs), multilayer perceptron (MLPNNs), hybrid genetic algorithm (GA-NNs), and particle swarm optimization (PSO-NNs) neural networks were utilized to develop PTFs and compared their accuracy with the traditional regression model (MLR) using statistical indices. …"

A Quadratic Pair Atomic Resolution of the Identity Based SOS-AO-MP2 Algorithm Using Slater Type Orbitals حسب Arno Förster (8356044)

الموضوعات:

Cost function calculated by QA with different hyperparameters. حسب Takuro Matsuta (21608505)

الموضوعات: "…currently available algorithms…"

Cost function calculated by SA with different hyperparameters. حسب Takuro Matsuta (21608505)

الموضوعات: "…currently available algorithms…"

Linear-regression-based algorithms succeed at identifying the correct functional groups in synthetic data, and multi-group algorithms recover more information. حسب Yuanchen Zhao (12905580)

الموضوعات:

Efficient Algorithms for GPU Accelerated Evaluation of the DFT Exchange-Correlation Functional حسب Ryan Stocks (16867476)

"…In contrast, for smaller and denser systems such as diamond nanoparticles, especially if employing large basis sets, algorithms that use the underlying molecular orbital coefficients offer superior performance, despite their higher formal scaling. …"