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

“…In medicinal chemistry, they are the basis for analyzing ligand–biomacromolecule interactions. Ertl’s algorithm is an approach to extract functional groups in arbitrary organic molecules that does not depend on predefined libraries of functional groups. …”

Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results by Se-Hee Jo (20554623)

Subjects: “…differential evolution algorithm…”

<b>Opti2Phase</b>: Python scripts for two-stage focal reducer by Morgan Najera (21540776)

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Distribution of cross correlations in functional connectivity in ABIDE sample. by Alexandria M. Jensen (6494957)

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FAR-1: A Fast Integer Reduction Algorithm Compared to Collatz and Half-Collatz by Faizan Ali (21689861)

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Results from different ML algorithms. by Caroline L. Alves (14271413)

ROC curve for each ML algorithm. by Caroline L. Alves (14271413)

Analysis of ABIDE dataset: Conventional regression frameworks for optimized algorithmic value. by Alexandria M. Jensen (6494957)

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Acurracy comparison of CCA and FBCCA algorithms. by Hossein Hamidi Shishavan (19688384)

Reward function related parameters. by Honglei Pang (22693724)

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Confusion matrices depict the performance of various ML algorithms. by Caroline L. Alves (14271413)

Geometric interpretation and data visualisation equivalent describing the DI algorithmic pipeline. by Borjan Milinkovic (21349908)

Classification accuracy as a function of the amount of training data. by Dovilė Kurmanavičiūtė (21072549)

Parameters to configure the multi-staged vascularization using the PDCCO algorithm. by Eduardo G. Zilves (22209247)

Cost functions implemented in Neuroptimus. by Máté Mohácsi (20469514)

Studies with ML classification algorithms for distinguishing ASD and ADHD groups described in subsection 1.2. by Caroline L. Alves (14271413)

Reverse engineering information flow using stimulus-encoding and stimulus-transfer estimation algorithms. by Gabriel Matías Lorenz (21094672)

Average classification accuracies for fft and stack methods, LSTM, Bi-LSTM, and CNN algorithms. by Jamila Akhter (21144252)

PyNoetic’s feature extraction module that supports time domain features, frequency domain features, time-frequency domain features, spatial features as well as Brain Connectivity m... by Gursimran Singh (575288)

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