ecfp_4 fingerprint based clustering algorithm Search Results


ecfp4 fingerprints  (Protox Therapeutics)
90
Protox Therapeutics ecfp4 fingerprints
Performance of ProTox in leave-one-out cross-validation compared to TOPKAT ® . The overall hit rate (HR) as well as the hit rates obtained in the individual toxicity classes are displayed for ProTox using FP24 fingerprints (orange), <t>ECFP4</t> fingerprints (yellow) and TOPKAT ® (blue). Due to the use of Tanimoto similarity thresholds of 0.7 and 0.5 for FP24 and ECFP4, respectively, toxicity predictions were not made for all compounds and the prediction coverage is indicated. In case of TOPKAT ® , only molecules lying with the optimum prediction space were considered.
Ecfp4 Fingerprints, supplied by Protox Therapeutics, 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/ecfp4 fingerprints/product/Protox Therapeutics
Average 90 stars, based on 1 article reviews
ecfp4 fingerprints - by Bioz Stars, 2026-04
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2d-fingerprint descriptor ecfp_4  (SciTegic Inc)
90
SciTegic Inc 2d-fingerprint descriptor ecfp_4
Performance of ProTox in leave-one-out cross-validation compared to TOPKAT ® . The overall hit rate (HR) as well as the hit rates obtained in the individual toxicity classes are displayed for ProTox using FP24 fingerprints (orange), <t>ECFP4</t> fingerprints (yellow) and TOPKAT ® (blue). Due to the use of Tanimoto similarity thresholds of 0.7 and 0.5 for FP24 and ECFP4, respectively, toxicity predictions were not made for all compounds and the prediction coverage is indicated. In case of TOPKAT ® , only molecules lying with the optimum prediction space were considered.
2d Fingerprint Descriptor Ecfp 4, supplied by SciTegic 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/2d-fingerprint descriptor ecfp_4/product/SciTegic Inc
Average 90 stars, based on 1 article reviews
2d-fingerprint descriptor ecfp_4 - by Bioz Stars, 2026-04
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morgan 2 fingerprint  (KNIME GmbH)
90
KNIME GmbH morgan 2 fingerprint
Performance of ProTox in leave-one-out cross-validation compared to TOPKAT ® . The overall hit rate (HR) as well as the hit rates obtained in the individual toxicity classes are displayed for ProTox using FP24 fingerprints (orange), <t>ECFP4</t> fingerprints (yellow) and TOPKAT ® (blue). Due to the use of Tanimoto similarity thresholds of 0.7 and 0.5 for FP24 and ECFP4, respectively, toxicity predictions were not made for all compounds and the prediction coverage is indicated. In case of TOPKAT ® , only molecules lying with the optimum prediction space were considered.
Morgan 2 Fingerprint, 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/morgan 2 fingerprint/product/KNIME GmbH
Average 90 stars, based on 1 article reviews
morgan 2 fingerprint - by Bioz Stars, 2026-04
90/100 stars
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extended-connectivity fingerprints with a diameter of four chemical bonds (ecfp4)  (Accelrys)
90
Accelrys extended-connectivity fingerprints with a diameter of four chemical bonds (ecfp4)
Performance of ProTox in leave-one-out cross-validation compared to TOPKAT ® . The overall hit rate (HR) as well as the hit rates obtained in the individual toxicity classes are displayed for ProTox using FP24 fingerprints (orange), <t>ECFP4</t> fingerprints (yellow) and TOPKAT ® (blue). Due to the use of Tanimoto similarity thresholds of 0.7 and 0.5 for FP24 and ECFP4, respectively, toxicity predictions were not made for all compounds and the prediction coverage is indicated. In case of TOPKAT ® , only molecules lying with the optimum prediction space were considered.
Extended Connectivity Fingerprints With A Diameter Of Four Chemical Bonds (Ecfp4), supplied by Accelrys, 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/extended-connectivity fingerprints with a diameter of four chemical bonds (ecfp4)/product/Accelrys
Average 90 stars, based on 1 article reviews
extended-connectivity fingerprints with a diameter of four chemical bonds (ecfp4) - by Bioz Stars, 2026-04
90/100 stars
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1024-bit folded scitegic ecfp_4 topological fingerprints  (SciTegic Inc)
90
SciTegic Inc 1024-bit folded scitegic ecfp_4 topological fingerprints
Performance of ProTox in leave-one-out cross-validation compared to TOPKAT ® . The overall hit rate (HR) as well as the hit rates obtained in the individual toxicity classes are displayed for ProTox using FP24 fingerprints (orange), <t>ECFP4</t> fingerprints (yellow) and TOPKAT ® (blue). Due to the use of Tanimoto similarity thresholds of 0.7 and 0.5 for FP24 and ECFP4, respectively, toxicity predictions were not made for all compounds and the prediction coverage is indicated. In case of TOPKAT ® , only molecules lying with the optimum prediction space were considered.
1024 Bit Folded Scitegic Ecfp 4 Topological Fingerprints, supplied by SciTegic 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/1024-bit folded scitegic ecfp_4 topological fingerprints/product/SciTegic Inc
Average 90 stars, based on 1 article reviews
1024-bit folded scitegic ecfp_4 topological fingerprints - by Bioz Stars, 2026-04
90/100 stars
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ecfp4 fingerprint  (ChemAxon LLC)
90
ChemAxon LLC ecfp4 fingerprint
Performance of ProTox in leave-one-out cross-validation compared to TOPKAT ® . The overall hit rate (HR) as well as the hit rates obtained in the individual toxicity classes are displayed for ProTox using FP24 fingerprints (orange), <t>ECFP4</t> fingerprints (yellow) and TOPKAT ® (blue). Due to the use of Tanimoto similarity thresholds of 0.7 and 0.5 for FP24 and ECFP4, respectively, toxicity predictions were not made for all compounds and the prediction coverage is indicated. In case of TOPKAT ® , only molecules lying with the optimum prediction space were considered.
Ecfp4 Fingerprint, supplied by ChemAxon 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/ecfp4 fingerprint/product/ChemAxon LLC
Average 90 stars, based on 1 article reviews
ecfp4 fingerprint - by Bioz Stars, 2026-04
90/100 stars
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chrom logd  (Chrom Tech)
90
Chrom Tech chrom logd
Performance of ProTox in leave-one-out cross-validation compared to TOPKAT ® . The overall hit rate (HR) as well as the hit rates obtained in the individual toxicity classes are displayed for ProTox using FP24 fingerprints (orange), <t>ECFP4</t> fingerprints (yellow) and TOPKAT ® (blue). Due to the use of Tanimoto similarity thresholds of 0.7 and 0.5 for FP24 and ECFP4, respectively, toxicity predictions were not made for all compounds and the prediction coverage is indicated. In case of TOPKAT ® , only molecules lying with the optimum prediction space were considered.
Chrom Logd, supplied by Chrom Tech, 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/chrom logd/product/Chrom Tech
Average 90 stars, based on 1 article reviews
chrom logd - by Bioz Stars, 2026-04
90/100 stars
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mhfp6-1024 chemical space  (Human Metabolome Technologies America)
90
Human Metabolome Technologies America mhfp6-1024 chemical space
Performance of ProTox in leave-one-out cross-validation compared to TOPKAT ® . The overall hit rate (HR) as well as the hit rates obtained in the individual toxicity classes are displayed for ProTox using FP24 fingerprints (orange), <t>ECFP4</t> fingerprints (yellow) and TOPKAT ® (blue). Due to the use of Tanimoto similarity thresholds of 0.7 and 0.5 for FP24 and ECFP4, respectively, toxicity predictions were not made for all compounds and the prediction coverage is indicated. In case of TOPKAT ® , only molecules lying with the optimum prediction space were considered.
Mhfp6 1024 Chemical Space, supplied by Human Metabolome Technologies America, 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/mhfp6-1024 chemical space/product/Human Metabolome Technologies America
Average 90 stars, based on 1 article reviews
mhfp6-1024 chemical space - by Bioz Stars, 2026-04
90/100 stars
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ecfp4 molecular fingerprints  (Broad Institute Inc)
90
Broad Institute Inc ecfp4 molecular fingerprints
Performance of ProTox in leave-one-out cross-validation compared to TOPKAT ® . The overall hit rate (HR) as well as the hit rates obtained in the individual toxicity classes are displayed for ProTox using FP24 fingerprints (orange), <t>ECFP4</t> fingerprints (yellow) and TOPKAT ® (blue). Due to the use of Tanimoto similarity thresholds of 0.7 and 0.5 for FP24 and ECFP4, respectively, toxicity predictions were not made for all compounds and the prediction coverage is indicated. In case of TOPKAT ® , only molecules lying with the optimum prediction space were considered.
Ecfp4 Molecular Fingerprints, supplied by Broad Institute 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/ecfp4 molecular fingerprints/product/Broad Institute Inc
Average 90 stars, based on 1 article reviews
ecfp4 molecular fingerprints - by Bioz Stars, 2026-04
90/100 stars
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ecfp_4 fingerprint based clustering algorithm  (Accelrys)
90
Accelrys ecfp_4 fingerprint based clustering algorithm
Performance of ProTox in leave-one-out cross-validation compared to TOPKAT ® . The overall hit rate (HR) as well as the hit rates obtained in the individual toxicity classes are displayed for ProTox using FP24 fingerprints (orange), <t>ECFP4</t> fingerprints (yellow) and TOPKAT ® (blue). Due to the use of Tanimoto similarity thresholds of 0.7 and 0.5 for FP24 and ECFP4, respectively, toxicity predictions were not made for all compounds and the prediction coverage is indicated. In case of TOPKAT ® , only molecules lying with the optimum prediction space were considered.
Ecfp 4 Fingerprint Based Clustering Algorithm, supplied by Accelrys, 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/ecfp_4 fingerprint based clustering algorithm/product/Accelrys
Average 90 stars, based on 1 article reviews
ecfp_4 fingerprint based clustering algorithm - by Bioz Stars, 2026-04
90/100 stars
  Buy from Supplier
ecfp4 fingerprints  (Muegge GmbH)
90
Muegge GmbH ecfp4 fingerprints
Performance of ProTox in leave-one-out cross-validation compared to TOPKAT ® . The overall hit rate (HR) as well as the hit rates obtained in the individual toxicity classes are displayed for ProTox using FP24 fingerprints (orange), <t>ECFP4</t> fingerprints (yellow) and TOPKAT ® (blue). Due to the use of Tanimoto similarity thresholds of 0.7 and 0.5 for FP24 and ECFP4, respectively, toxicity predictions were not made for all compounds and the prediction coverage is indicated. In case of TOPKAT ® , only molecules lying with the optimum prediction space were considered.
Ecfp4 Fingerprints, supplied by Muegge 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/ecfp4 fingerprints/product/Muegge GmbH
Average 90 stars, based on 1 article reviews
ecfp4 fingerprints - by Bioz Stars, 2026-04
90/100 stars
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topological extended connectivity fingerprints ecfp_4  (SciTegic Inc)
90
SciTegic Inc topological extended connectivity fingerprints ecfp_4
Performance of ProTox in leave-one-out cross-validation compared to TOPKAT ® . The overall hit rate (HR) as well as the hit rates obtained in the individual toxicity classes are displayed for ProTox using FP24 fingerprints (orange), <t>ECFP4</t> fingerprints (yellow) and TOPKAT ® (blue). Due to the use of Tanimoto similarity thresholds of 0.7 and 0.5 for FP24 and ECFP4, respectively, toxicity predictions were not made for all compounds and the prediction coverage is indicated. In case of TOPKAT ® , only molecules lying with the optimum prediction space were considered.
Topological Extended Connectivity Fingerprints Ecfp 4, supplied by SciTegic 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/topological extended connectivity fingerprints ecfp_4/product/SciTegic Inc
Average 90 stars, based on 1 article reviews
topological extended connectivity fingerprints ecfp_4 - by Bioz Stars, 2026-04
90/100 stars
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Image Search Results


Performance of ProTox in leave-one-out cross-validation compared to TOPKAT ® . The overall hit rate (HR) as well as the hit rates obtained in the individual toxicity classes are displayed for ProTox using FP24 fingerprints (orange), ECFP4 fingerprints (yellow) and TOPKAT ® (blue). Due to the use of Tanimoto similarity thresholds of 0.7 and 0.5 for FP24 and ECFP4, respectively, toxicity predictions were not made for all compounds and the prediction coverage is indicated. In case of TOPKAT ® , only molecules lying with the optimum prediction space were considered.

Journal: Nucleic Acids Research

Article Title: ProTox: a web server for the in silico prediction of rodent oral toxicity

doi: 10.1093/nar/gku401

Figure Lengend Snippet: Performance of ProTox in leave-one-out cross-validation compared to TOPKAT ® . The overall hit rate (HR) as well as the hit rates obtained in the individual toxicity classes are displayed for ProTox using FP24 fingerprints (orange), ECFP4 fingerprints (yellow) and TOPKAT ® (blue). Due to the use of Tanimoto similarity thresholds of 0.7 and 0.5 for FP24 and ECFP4, respectively, toxicity predictions were not made for all compounds and the prediction coverage is indicated. In case of TOPKAT ® , only molecules lying with the optimum prediction space were considered.

Article Snippet: A similar coverage was obtained with the ProTox similarity search using a Tanimoto cutoff of 0.7 and 0.5 for the FP24 and ECFP4 fingerprints, respectively (89 and 87%).

Techniques: Biomarker Discovery