<i>De Novo</i> Drug Design of Targeted Chemical Libraries Based on Artificial Intelligence and Pair-Based Multiobjective Optimization حسب Alberga Domenico (9356272)

الموضوعات:

Face recognition algorithm flow based on the PCA. حسب Na Lin (69470)

Summary of classification algorithms. حسب Stephen R. Piccolo (8367780)

الموضوعات:

DE algorithm flow. حسب Ling Zhao (111365)

"…In the experiments, optimization metrics such as kinematic optimization rate (calculated based on the shortest path and connectivity between functional areas), space utilization rate (calculated by the ratio of room area to total usable space), and functional fitness (based on the weighted sum of users’ subjective evaluations and functional matches) all perform well. …"

Classification algorithm hyperparameter combinations. حسب Stephen R. Piccolo (8367780)

الموضوعات:

Summary of feature-selection algorithms. حسب Stephen R. Piccolo (8367780)

الموضوعات:

Library of the 55 different classification and regression machine-learning algorithms used by the ensemble predictor SuperLearner (SL.library) in the CBDA 2.0 implementation. حسب Simeone Marino (81051)

Test results of different algorithms. حسب Ling Zhao (111365)

"…In the experiments, optimization metrics such as kinematic optimization rate (calculated based on the shortest path and connectivity between functional areas), space utilization rate (calculated by the ratio of room area to total usable space), and functional fitness (based on the weighted sum of users’ subjective evaluations and functional matches) all perform well. …"

Feature-selection algorithm hyperparameter combinations. حسب Stephen R. Piccolo (8367780)

الموضوعات:

Comparison of ranks for classification algorithms across performance metrics. حسب Stephen R. Piccolo (8367780)

الموضوعات:

SHAP bar plot. حسب Meng Cao (105914)

"…The optimal model was further assessed for predictor importance utilizing the SHAP method and deployed on a web platform using the Streamlit library.…"

Sample screening flowchart. حسب Meng Cao (105914)

"…The optimal model was further assessed for predictor importance utilizing the SHAP method and deployed on a web platform using the Streamlit library.…"

Descriptive statistics for variables. حسب Meng Cao (105914)

"…The optimal model was further assessed for predictor importance utilizing the SHAP method and deployed on a web platform using the Streamlit library.…"

SHAP summary plot. حسب Meng Cao (105914)

"…The optimal model was further assessed for predictor importance utilizing the SHAP method and deployed on a web platform using the Streamlit library.…"

ROC curves for the test set of four models. حسب Meng Cao (105914)

"…The optimal model was further assessed for predictor importance utilizing the SHAP method and deployed on a web platform using the Streamlit library.…"

Display of the web prediction interface. حسب Meng Cao (105914)

"…The optimal model was further assessed for predictor importance utilizing the SHAP method and deployed on a web platform using the Streamlit library.…"

Tradeoff between execution time and predictive performance for classification algorithms. حسب Stephen R. Piccolo (8367780)

الموضوعات:

RosettaAMRLD: A Reaction-Driven Approach for Structure-Based Drug Design from Combinatorial Libraries with Monte Carlo Metropolis Algorithms حسب Yidan Tang (6623693)

"…The Rosetta automated Monte Carlo reaction-based ligand design (RosettaAMRLD) integrates a Monte Carlo Metropolis (MCM) algorithm and reaction-driven molecule proposal to enhance structure-based <i>de novo</i> drug discovery. …"

Relative classification performance per combination of feature-selection and classification algorithm. حسب Stephen R. Piccolo (8367780)

الموضوعات:

Comparison based on hard instances from [79]. حسب Xiang Tian (4369285)

"…Secondly, based on the data libraries of the IPMMPO, two tuple sets suitable for constraint programming modeling are further designed as data preprocessing. …"