PATH has state-of-the-art performance versus previous binding affinity prediction algorithms. حسب Yuxi Long (11024307)

الموضوعات:

Algorithmic experimental parameter design. حسب Chuanxi Xing (20141665)

"…The results of numerical simulations and sea trial experimental data indicate that the use of subarrays comprising 5 and 3 array elements, respectively, is sufficient to effectively estimate 12 source angles. …"

Spatial spectrum estimation for three algorithms. حسب Chuanxi Xing (20141665)

"…The results of numerical simulations and sea trial experimental data indicate that the use of subarrays comprising 5 and 3 array elements, respectively, is sufficient to effectively estimate 12 source angles. …"

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

الموضوعات:

The run time for each algorithm in seconds. حسب Edward Antonian (21453161)

"…The goal of this paper is to examine several extensions to KGR/GPoG, with the aim of generalising them a wider variety of data scenarios. The first extension we consider is the case of graph signals that have only been partially recorded, meaning a subset of their elements is missing at observation time. …"

Scatter diagram of different principal elements. حسب Jizhong Wang (7441697)

"…<div><p>A fault diagnosis method for oil immersed transformers based on principal component analysis and SSA LightGBM is proposed to address the problem of low diagnostic accuracy caused by the complexity of current oil immersed transformer faults. Firstly, data on dissolved gases in oil is collected, and a 17 dimensional fault feature matrix is constructed using the uncoded ratio method. …"

PATH (with persistence fingerprint) runs significantly faster than TNet-BP, a representative binding affinity prediction algorithm that uses persistent homology, on larger protein-... حسب Yuxi Long (11024307)

الموضوعات:

The method for determining the chemical constituents of unknown materials in the algorithm. حسب Dong Hyeok Choi (12562048)

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

الموضوعات:

Raw performance data for the first algorithm shown in Fig 9. حسب Weilun Wang (21559389)

"…<p>Raw performance data for the first algorithm shown in <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0328223#pone.0328223.g009" target="_blank">Fig 9</a>.…"

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

الموضوعات:

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

الموضوعات:

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

الموضوعات:

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,... حسب Yuxi Long (11024307)

الموضوعات:

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

الموضوعات:

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... حسب Yuxi Long (11024307)

الموضوعات:

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... حسب Yuxi Long (11024307)

الموضوعات:

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

الموضوعات:

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

الموضوعات:

Calculation algorithm implementing the proposed model. حسب Landry Djopkop Kouanang (17131748)