Display of the web prediction interface. by 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.…”

Diversity and specificity of lipid patterns in basal soil food web resources by Jakob Kühn (7288466)

“…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. …”

ReaLigands: A Ligand Library Cultivated from Experiment and Intended for Molecular Computational Catalyst Design by Shu-Sen Chen (1777108)

Subjects:

iRaPCA and SOMoC: Development and Validation of Web Applications for New Approaches for the Clustering of Small Molecules by Denis N. Prada Gori (5798651)

“…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). …”

iRaPCA and SOMoC: Development and Validation of Web Applications for New Approaches for the Clustering of Small Molecules by Denis N. Prada Gori (5798651)

“…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). …”

iRaPCA and SOMoC: Development and Validation of Web Applications for New Approaches for the Clustering of Small Molecules by Denis N. Prada Gori (5798651)

“…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). …”

SHAP bar plot. by 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. by 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. by 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. by 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. by 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.…”

Optimal 8-mer and 9-mer SARS-CoV-2 epitope identification. by Mariah Hassert (5746874)

“…As controls for strong Kb and Db binders respectively, Ova peptide and ZIKV E294 were input into the same algorithm. Optimal peptide epitopes are highlighted based on functional T cell data in combination with RMA-S stabilization assay data.…”

Cheminformatics-Guided Cell-Free Exploration of Peptide Natural Products by Jarrett M. Pelton (18143785)

“…To assess the peptide NP space that is directly accessible to current cell-free technologies, we developed a peptide parsing algorithm that breaks down peptide NPs into building blocks based on ribosomal translation logic. …”

Enhance Impact of Researchers, Journals and Increase success for more citations by mahdi lotfipanah (6922457)

ECE6327_SmartGrid by Xingpeng Li (11825663)

Phylogenetic history of genes 5 and 11 in three related genomes. by Geleta Dugassa Barka (9099456)

Results of network meta-analysis. by Kaiyu Zhang (198799)

“…</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. …”

Results of network meta-analysis. by Kaiyu Zhang (198799)

“…</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. …”

Results of network meta-analysis. by Kaiyu Zhang (198799)

“…</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. …”

Results of network meta-analysis. by Kaiyu Zhang (198799)

“…</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. …”