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driven optimization » design optimization (Expand Search), guided optimization (Expand Search), dose optimization (Expand Search)
web optimization » b optimization (Expand Search), yet optimization (Expand Search), led optimization (Expand Search)
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driven optimization » design optimization (Expand Search), guided optimization (Expand Search), dose optimization (Expand Search)
web optimization » b optimization (Expand Search), yet optimization (Expand Search), led optimization (Expand Search)
library based » laboratory based (Expand Search)
pairs driven » ai driven (Expand Search), virus driven (Expand Search), ptprg driven (Expand Search)
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1
Display of the web prediction interface.
Published 2025“…The optimal model was further assessed for predictor importance utilizing the SHAP method and deployed on a web platform using the Streamlit library.…”
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2
Diversity and specificity of lipid patterns in basal soil food web resources
Published 2019“…In marine environments, multivariate optimization models (Quantitative Fatty Acid Signature Analysis) and Bayesian approaches (source-tracking algorithm) were established to predict the proportion of predator diets using lipids as tracers. …”
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3
iRaPCA and SOMoC: Development and Validation of Web Applications for New Approaches for the Clustering of Small Molecules
Published 2022“…Here, two open-source in-house methodologies for clustering of small molecules are presented: iterative Random subspace Principal Component Analysis clustering (iRaPCA), an iterative approach based on feature bagging, dimensionality reduction, and K-means optimization; and Silhouette Optimized Molecular Clustering (SOMoC), which combines molecular fingerprints with the Uniform Manifold Approximation and Projection (UMAP) and Gaussian Mixture Model algorithm (GMM). …”
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4
iRaPCA and SOMoC: Development and Validation of Web Applications for New Approaches for the Clustering of Small Molecules
Published 2022“…Here, two open-source in-house methodologies for clustering of small molecules are presented: iterative Random subspace Principal Component Analysis clustering (iRaPCA), an iterative approach based on feature bagging, dimensionality reduction, and K-means optimization; and Silhouette Optimized Molecular Clustering (SOMoC), which combines molecular fingerprints with the Uniform Manifold Approximation and Projection (UMAP) and Gaussian Mixture Model algorithm (GMM). …”
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5
iRaPCA and SOMoC: Development and Validation of Web Applications for New Approaches for the Clustering of Small Molecules
Published 2022“…Here, two open-source in-house methodologies for clustering of small molecules are presented: iterative Random subspace Principal Component Analysis clustering (iRaPCA), an iterative approach based on feature bagging, dimensionality reduction, and K-means optimization; and Silhouette Optimized Molecular Clustering (SOMoC), which combines molecular fingerprints with the Uniform Manifold Approximation and Projection (UMAP) and Gaussian Mixture Model algorithm (GMM). …”
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6
SHAP bar plot.
Published 2025“…The optimal model was further assessed for predictor importance utilizing the SHAP method and deployed on a web platform using the Streamlit library.…”
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7
Sample screening flowchart.
Published 2025“…The optimal model was further assessed for predictor importance utilizing the SHAP method and deployed on a web platform using the Streamlit library.…”
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8
Descriptive statistics for variables.
Published 2025“…The optimal model was further assessed for predictor importance utilizing the SHAP method and deployed on a web platform using the Streamlit library.…”
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9
SHAP summary plot.
Published 2025“…The optimal model was further assessed for predictor importance utilizing the SHAP method and deployed on a web platform using the Streamlit library.…”
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10
ROC curves for the test set of four models.
Published 2025“…The optimal model was further assessed for predictor importance utilizing the SHAP method and deployed on a web platform using the Streamlit library.…”
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11
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12
Results of network meta-analysis.
Published 2023“…</p><p>Methods</p><p>A document retrieval was conducted in the databases PubMed, Cochrane Library, Embase, Web of science, China National Knowledge Infrastructure, WanFang Data Dissertations of China database, VIP China Science and Technology Journal Database, SinoMed. …”
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13
Results of network meta-analysis.
Published 2023“…</p><p>Methods</p><p>A document retrieval was conducted in the databases PubMed, Cochrane Library, Embase, Web of science, China National Knowledge Infrastructure, WanFang Data Dissertations of China database, VIP China Science and Technology Journal Database, SinoMed. …”
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14
Results of network meta-analysis.
Published 2023“…</p><p>Methods</p><p>A document retrieval was conducted in the databases PubMed, Cochrane Library, Embase, Web of science, China National Knowledge Infrastructure, WanFang Data Dissertations of China database, VIP China Science and Technology Journal Database, SinoMed. …”
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15
Results of network meta-analysis.
Published 2023“…</p><p>Methods</p><p>A document retrieval was conducted in the databases PubMed, Cochrane Library, Embase, Web of science, China National Knowledge Infrastructure, WanFang Data Dissertations of China database, VIP China Science and Technology Journal Database, SinoMed. …”
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16
Study flowchart.
Published 2023“…</p><p>Methods</p><p>A document retrieval was conducted in the databases PubMed, Cochrane Library, Embase, Web of science, China National Knowledge Infrastructure, WanFang Data Dissertations of China database, VIP China Science and Technology Journal Database, SinoMed. …”
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17
Risk of bias graph.
Published 2023“…</p><p>Methods</p><p>A document retrieval was conducted in the databases PubMed, Cochrane Library, Embase, Web of science, China National Knowledge Infrastructure, WanFang Data Dissertations of China database, VIP China Science and Technology Journal Database, SinoMed. …”
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18
Results of network meta-analysis.
Published 2023“…</p><p>Methods</p><p>A document retrieval was conducted in the databases PubMed, Cochrane Library, Embase, Web of science, China National Knowledge Infrastructure, WanFang Data Dissertations of China database, VIP China Science and Technology Journal Database, SinoMed. …”
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19
Characteristics of included studies.
Published 2023“…</p><p>Methods</p><p>A document retrieval was conducted in the databases PubMed, Cochrane Library, Embase, Web of science, China National Knowledge Infrastructure, WanFang Data Dissertations of China database, VIP China Science and Technology Journal Database, SinoMed. …”
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20
PoseidonQ: A Free Machine Learning Platform for the Development, Analysis, and Validation of Efficient and Portable QSAR Models for Drug Discovery
Published 2025“…Interestingly, the translation of QSAR models into web-based applications makes them free accessible, portable, and ready for screening large volumes of new data without limits. …”