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building models corresponding to ashrae 90.1-2004  (ASHRAE Inc)
90
ASHRAE Inc building models corresponding to ashrae 90.1-2004
Building Models Corresponding To Ashrae 90.1 2004, supplied by ASHRAE Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/building models corresponding to ashrae 90.1-2004/product/ASHRAE Inc
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software model building simulation run reporting documentation  (Simio LLC)
90
Simio LLC software model building simulation run reporting documentation
Software Model Building Simulation Run Reporting Documentation, supplied by Simio LLC, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/software model building simulation run reporting documentation/product/Simio LLC
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software model building simulation run reporting documentation - by Bioz Stars, 2026-06
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homology model building module  (Biosym Technologies)
90
Biosym Technologies homology model building module
Homology Model Building Module, supplied by Biosym Technologies, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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s-plus based model building aid xpose 3.0  (MathSoft Inc)
90
MathSoft Inc s-plus based model building aid xpose 3.0
S Plus Based Model Building Aid Xpose 3.0, supplied by MathSoft Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/s-plus based model building aid xpose 3.0/product/MathSoft Inc
Average 90 stars, based on 1 article reviews
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workflow used to build models  (KNIME GmbH)
90
KNIME GmbH workflow used to build models
<t>Workflow</t> of predicting natural product 5-LO inhibitors. Known small-molecule—5-LO interactions were cleaned up; the molecules were stratified into strong and weak/nonmodulators (cutoff IC 50 = 1 μM). Numerical structure descriptors were generated for each molecule. Three predictive classification models were built (gradient boosted trees, logistic regression, and naive Bayesian) based on the descriptors. The models were then used to predict the activities of 24,500 commercially available natural products and natural product derivatives. A subset of triple- and double-positive predictions were further investigated in the PubChem database. Eleven natural products with bioactivities that could be consistent with 5-LO inhibition were chosen for further testing. A similar approach was taken to predict 5-LO pathway inhibitors from the data set <t>of</t> <t>FLAP</t> activity modulators, as described in the text.
Workflow Used To Build Models, supplied by KNIME GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/workflow used to build models/product/KNIME GmbH
Average 90 stars, based on 1 article reviews
workflow used to build models - by Bioz Stars, 2026-06
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build-model-byhomology protocol  (Molsoft LLC)
90
Molsoft LLC build-model-byhomology protocol
<t>Workflow</t> of predicting natural product 5-LO inhibitors. Known small-molecule—5-LO interactions were cleaned up; the molecules were stratified into strong and weak/nonmodulators (cutoff IC 50 = 1 μM). Numerical structure descriptors were generated for each molecule. Three predictive classification models were built (gradient boosted trees, logistic regression, and naive Bayesian) based on the descriptors. The models were then used to predict the activities of 24,500 commercially available natural products and natural product derivatives. A subset of triple- and double-positive predictions were further investigated in the PubChem database. Eleven natural products with bioactivities that could be consistent with 5-LO inhibition were chosen for further testing. A similar approach was taken to predict 5-LO pathway inhibitors from the data set <t>of</t> <t>FLAP</t> activity modulators, as described in the text.
Build Model Byhomology Protocol, supplied by Molsoft LLC, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/build-model-byhomology protocol/product/Molsoft LLC
Average 90 stars, based on 1 article reviews
build-model-byhomology protocol - by Bioz Stars, 2026-06
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model building aid xpose 2.0  (MathSoft Inc)
90
MathSoft Inc model building aid xpose 2.0
<t>Workflow</t> of predicting natural product 5-LO inhibitors. Known small-molecule—5-LO interactions were cleaned up; the molecules were stratified into strong and weak/nonmodulators (cutoff IC 50 = 1 μM). Numerical structure descriptors were generated for each molecule. Three predictive classification models were built (gradient boosted trees, logistic regression, and naive Bayesian) based on the descriptors. The models were then used to predict the activities of 24,500 commercially available natural products and natural product derivatives. A subset of triple- and double-positive predictions were further investigated in the PubChem database. Eleven natural products with bioactivities that could be consistent with 5-LO inhibition were chosen for further testing. A similar approach was taken to predict 5-LO pathway inhibitors from the data set <t>of</t> <t>FLAP</t> activity modulators, as described in the text.
Model Building Aid Xpose 2.0, supplied by MathSoft Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/model building aid xpose 2.0/product/MathSoft Inc
Average 90 stars, based on 1 article reviews
model building aid xpose 2.0 - by Bioz Stars, 2026-06
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cart decision tree model building  (Salford Systems)
90
Salford Systems cart decision tree model building
<t>Workflow</t> of predicting natural product 5-LO inhibitors. Known small-molecule—5-LO interactions were cleaned up; the molecules were stratified into strong and weak/nonmodulators (cutoff IC 50 = 1 μM). Numerical structure descriptors were generated for each molecule. Three predictive classification models were built (gradient boosted trees, logistic regression, and naive Bayesian) based on the descriptors. The models were then used to predict the activities of 24,500 commercially available natural products and natural product derivatives. A subset of triple- and double-positive predictions were further investigated in the PubChem database. Eleven natural products with bioactivities that could be consistent with 5-LO inhibition were chosen for further testing. A similar approach was taken to predict 5-LO pathway inhibitors from the data set <t>of</t> <t>FLAP</t> activity modulators, as described in the text.
Cart Decision Tree Model Building, supplied by Salford Systems, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/cart decision tree model building/product/Salford Systems
Average 90 stars, based on 1 article reviews
cart decision tree model building - by Bioz Stars, 2026-06
90/100 stars
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building security in maturity model (bsimm) assessment  (Cigital Inc)
90
Cigital Inc building security in maturity model (bsimm) assessment
<t>Workflow</t> of predicting natural product 5-LO inhibitors. Known small-molecule—5-LO interactions were cleaned up; the molecules were stratified into strong and weak/nonmodulators (cutoff IC 50 = 1 μM). Numerical structure descriptors were generated for each molecule. Three predictive classification models were built (gradient boosted trees, logistic regression, and naive Bayesian) based on the descriptors. The models were then used to predict the activities of 24,500 commercially available natural products and natural product derivatives. A subset of triple- and double-positive predictions were further investigated in the PubChem database. Eleven natural products with bioactivities that could be consistent with 5-LO inhibition were chosen for further testing. A similar approach was taken to predict 5-LO pathway inhibitors from the data set <t>of</t> <t>FLAP</t> activity modulators, as described in the text.
Building Security In Maturity Model (Bsimm) Assessment, supplied by Cigital Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/building security in maturity model (bsimm) assessment/product/Cigital Inc
Average 90 stars, based on 1 article reviews
building security in maturity model (bsimm) assessment - by Bioz Stars, 2026-06
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model building  (Biomodels LLC)
90
Biomodels LLC model building
<t>Workflow</t> of predicting natural product 5-LO inhibitors. Known small-molecule—5-LO interactions were cleaned up; the molecules were stratified into strong and weak/nonmodulators (cutoff IC 50 = 1 μM). Numerical structure descriptors were generated for each molecule. Three predictive classification models were built (gradient boosted trees, logistic regression, and naive Bayesian) based on the descriptors. The models were then used to predict the activities of 24,500 commercially available natural products and natural product derivatives. A subset of triple- and double-positive predictions were further investigated in the PubChem database. Eleven natural products with bioactivities that could be consistent with 5-LO inhibition were chosen for further testing. A similar approach was taken to predict 5-LO pathway inhibitors from the data set <t>of</t> <t>FLAP</t> activity modulators, as described in the text.
Model Building, supplied by Biomodels LLC, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/model building/product/Biomodels LLC
Average 90 stars, based on 1 article reviews
model building - by Bioz Stars, 2026-06
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build_model version 2.0.1 build 07.30  (Moltech Solutions PVT LTD)
90
Moltech Solutions PVT LTD build_model version 2.0.1 build 07.30
<t>Workflow</t> of predicting natural product 5-LO inhibitors. Known small-molecule—5-LO interactions were cleaned up; the molecules were stratified into strong and weak/nonmodulators (cutoff IC 50 = 1 μM). Numerical structure descriptors were generated for each molecule. Three predictive classification models were built (gradient boosted trees, logistic regression, and naive Bayesian) based on the descriptors. The models were then used to predict the activities of 24,500 commercially available natural products and natural product derivatives. A subset of triple- and double-positive predictions were further investigated in the PubChem database. Eleven natural products with bioactivities that could be consistent with 5-LO inhibition were chosen for further testing. A similar approach was taken to predict 5-LO pathway inhibitors from the data set <t>of</t> <t>FLAP</t> activity modulators, as described in the text.
Build Model Version 2.0.1 Build 07.30, supplied by Moltech Solutions PVT LTD, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/build_model version 2.0.1 build 07.30/product/Moltech Solutions PVT LTD
Average 90 stars, based on 1 article reviews
build_model version 2.0.1 build 07.30 - by Bioz Stars, 2026-06
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whole building hygrothermal simulation model  (ASHRAE Inc)
90
ASHRAE Inc whole building hygrothermal simulation model
<t>Workflow</t> of predicting natural product 5-LO inhibitors. Known small-molecule—5-LO interactions were cleaned up; the molecules were stratified into strong and weak/nonmodulators (cutoff IC 50 = 1 μM). Numerical structure descriptors were generated for each molecule. Three predictive classification models were built (gradient boosted trees, logistic regression, and naive Bayesian) based on the descriptors. The models were then used to predict the activities of 24,500 commercially available natural products and natural product derivatives. A subset of triple- and double-positive predictions were further investigated in the PubChem database. Eleven natural products with bioactivities that could be consistent with 5-LO inhibition were chosen for further testing. A similar approach was taken to predict 5-LO pathway inhibitors from the data set <t>of</t> <t>FLAP</t> activity modulators, as described in the text.
Whole Building Hygrothermal Simulation Model, supplied by ASHRAE Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/result/whole building hygrothermal simulation model/product/ASHRAE Inc
Average 90 stars, based on 1 article reviews
whole building hygrothermal simulation model - by Bioz Stars, 2026-06
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Image Search Results


Workflow of predicting natural product 5-LO inhibitors. Known small-molecule—5-LO interactions were cleaned up; the molecules were stratified into strong and weak/nonmodulators (cutoff IC 50 = 1 μM). Numerical structure descriptors were generated for each molecule. Three predictive classification models were built (gradient boosted trees, logistic regression, and naive Bayesian) based on the descriptors. The models were then used to predict the activities of 24,500 commercially available natural products and natural product derivatives. A subset of triple- and double-positive predictions were further investigated in the PubChem database. Eleven natural products with bioactivities that could be consistent with 5-LO inhibition were chosen for further testing. A similar approach was taken to predict 5-LO pathway inhibitors from the data set of FLAP activity modulators, as described in the text.

Journal: ACS Chemical Biology

Article Title: Machine Learning Uncovers Natural Product Modulators of the 5-Lipoxygenase Pathway and Facilitates the Elucidation of Their Biological Mechanisms

doi: 10.1021/acschembio.3c00725

Figure Lengend Snippet: Workflow of predicting natural product 5-LO inhibitors. Known small-molecule—5-LO interactions were cleaned up; the molecules were stratified into strong and weak/nonmodulators (cutoff IC 50 = 1 μM). Numerical structure descriptors were generated for each molecule. Three predictive classification models were built (gradient boosted trees, logistic regression, and naive Bayesian) based on the descriptors. The models were then used to predict the activities of 24,500 commercially available natural products and natural product derivatives. A subset of triple- and double-positive predictions were further investigated in the PubChem database. Eleven natural products with bioactivities that could be consistent with 5-LO inhibition were chosen for further testing. A similar approach was taken to predict 5-LO pathway inhibitors from the data set of FLAP activity modulators, as described in the text.

Article Snippet: Data set of 5-LO modulators used to build ML models, data set of commercially available natural products, data set of FLAP modulators used to build ML models, metrics of ML models used in this study, list of molecular fragments in 5-LO modulators and their frequencies in strong and weak modulator subsets, 5-LO modulator-derived ML model predictions on the natural product data set, similarity search of tested natural products in the 5-LO modulator data set, FLAP modulator-derived ML model predictions on the natural product data set, KNIME workflow used to build ML models, and KNIME workflow used to carry out 5-LO fragment analysis ( PDF ) 5-LO molecular data set, commercially available natural products, FLAP modular data set, ML model metrics, 5-LO modulator fragment analysis, predictions from the 5-LO data set, predictions from the FLAP data set, ML workflow, and fragment analysis workflow( ZIP )

Techniques: Generated, Inhibition, Activity Assay