PATH⁺ explains tighter binding of carbonic anhydrase II by brinzolamide. by Yuxi Long (11024307)

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An overview of PATH⁺. by Yuxi Long (11024307)

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The 10 features captured by persistence fingerprint. by Yuxi Long (11024307)

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^aTwo HIV-1 protease mutants bound to inhibitor darunavir (G48V: PDB ID 3cyw [81] & L90M: PDB ID 2f81 [82]). by Yuxi Long (11024307)

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Scatter plots of PATH⁺ and our implementation of TNet-BP’s predictions on a held-out, test subset of PDBBind v2020 refined set for one run (90:10 train:test split ratio,... by Yuxi Long (11024307)

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Two protein-ligand complexes shown with their persistence fingerprint. by Yuxi Long (11024307)

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PATH⁺ correctly predicted a weaker binding affinity for HIV-1 protease with the drug-resistant G48V mutation (right, experimental kcal/mol, PDB ID: 3cyw [81]) bound to d... by Yuxi Long (11024307)

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Visualization by PaCMAP [52] shows that persistence fingerprint clusters protein-ligand complexes with similar binding affinity reasonably well, even beyond the training dataset (P... by Yuxi Long (11024307)

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Performance of TNet-BP and PATH⁺ on the PDBBind v2020 refined set shows that PATH⁺ achieves similar performance with TNet-BP while having three orders fewer f... by Yuxi Long (11024307)

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Construction of internuclear persistence contours (IPCs). by Yuxi Long (11024307)

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Comparison of PATH⁺ with TNet-BP [43]. by Yuxi Long (11024307)

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Flowchart of system algorithm. by Syed Zahurul Islam (9635163)

Data Sheet 1_Strategies for population-level identification of post-acute sequelae of COVID-19 through health administrative data.pdf by Cristina Mazzali (22090328)

“…From each included study, we extracted data on design, algorithms used for outcome identification (sources, coding systems, codes, time criteria/thresholds), and whether significant associations with SARS-CoV-2 infection were reported.…”

Code snippet from “Apache Dubbo” GitHub project. by Matthew Yit Hang Yeow (20721206)

“…Our approach uses cross-project code clone detection to establish the ground truth for software reuse, identifying code clones across popular GitHub projects as indicators of potential reuse candidates. …”

Data Sheet 1_The relevance of lead prioritization: a B2B lead scoring model based on machine learning.xlsx by Laura González-Flores (20843411)

Hair removal preprocessing using the DullRazor algorithm before image generation. by Mujung Kim (22367223)

Curve of data size vs. running time. by Qingnan Ji (22662198)

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COMET: A Machine-Learning Framework Integrating Ligand-Based and Target-Based Algorithms for Elucidating Drug Targets by Haojie Wang (3072141)

“…We have developed a computational target-fishing method, termed COMET, which integrates ligand-based similarity scores with target-based binding scores into a random forest algorithm for target ranking. COMET leverages carefully curated data sets encompassing 2685 human targets of therapeutic relevance and 990,944 ligand-target interaction pairs. …”

COMET: A Machine-Learning Framework Integrating Ligand-Based and Target-Based Algorithms for Elucidating Drug Targets by Haojie Wang (3072141)

“…We have developed a computational target-fishing method, termed COMET, which integrates ligand-based similarity scores with target-based binding scores into a random forest algorithm for target ranking. COMET leverages carefully curated data sets encompassing 2685 human targets of therapeutic relevance and 990,944 ligand-target interaction pairs. …”

COMET: A Machine-Learning Framework Integrating Ligand-Based and Target-Based Algorithms for Elucidating Drug Targets by Haojie Wang (3072141)

“…We have developed a computational target-fishing method, termed COMET, which integrates ligand-based similarity scores with target-based binding scores into a random forest algorithm for target ranking. COMET leverages carefully curated data sets encompassing 2685 human targets of therapeutic relevance and 990,944 ligand-target interaction pairs. …”