maccs structural binary keys Search Results


fingerprints maccs 166 bit structural keys  (OpenEye Scientific Software Inc)
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maccs structural keys  (Molecular Design Ltd)
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Maccs Structural Keys, supplied by Molecular Design Ltd, 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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the molecular access system (maccs) structural keys  (KNIME GmbH)
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Summarized statistical characteristics of QSAR models for hERG liability assessed by 5-fold external cross-validation for the modeling set at the threshold level of 10 μM.
The Molecular Access System (Maccs) Structural Keys, 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
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Summarized statistical characteristics of QSAR models for hERG liability assessed by 5-fold external cross-validation for the modeling set at the threshold level of 10 μM.
Maccs Structure Keys, supplied by MDL Information Systems, 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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maccs structural binary keys  (Molecular Design Ltd)
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Summarized statistical characteristics of QSAR models for hERG liability assessed by 5-fold external cross-validation for the modeling set at the threshold level of 10 μM.
Maccs Structural Binary Keys, supplied by Molecular Design Ltd, 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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maccs structural keys  (KNIME GmbH)
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Statistical characteristics of multiclass QSAR models for eye irritation and eye corrosion.
Maccs Structural Keys, 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
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maccs structural keys fingerprinting (maccs ii  (Molecular Design Ltd)
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Statistical characteristics of multiclass QSAR models for eye irritation and eye corrosion.
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structural molecular access system (maccs) keys  (MDL Information Systems)
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Statistical characteristics of multiclass QSAR models for eye irritation and eye corrosion.
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Statistical characteristics of multiclass QSAR models for eye irritation and eye corrosion.
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166-bit public maccs structural keys  (Verlag GmbH)
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Statistical characteristics of multiclass QSAR models for eye irritation and eye corrosion.
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maccs structural keys  (Symyx Technologies)
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Statistical characteristics of multiclass QSAR models for eye irritation and eye corrosion.
Maccs Structural Keys, supplied by Symyx 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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maccs structural keys maccs ii  (Molecular Design Ltd)
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Statistical characteristics of multiclass QSAR models for eye irritation and eye corrosion.
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Image Search Results


Summarized statistical characteristics of QSAR models for hERG liability assessed by 5-fold external cross-validation for the modeling set at the threshold level of 10 μM.

Journal: Current topics in medicinal chemistry

Article Title: Tuning hERG out: Antitarget QSAR Models for Drug Development

doi:

Figure Lengend Snippet: Summarized statistical characteristics of QSAR models for hERG liability assessed by 5-fold external cross-validation for the modeling set at the threshold level of 10 μM.

Article Snippet: The Molecular ACCess System (MACCS) structural keys The MACCS structural keys were calculated using the RDKit ( http://www.rdkit.org ) in the KNIME platform [ 98 ].

Techniques:

Statistical results of some QSAR models for hERG liability for the external test set at the threshold level of 10 μM.

Journal: Current topics in medicinal chemistry

Article Title: Tuning hERG out: Antitarget QSAR Models for Drug Development

doi:

Figure Lengend Snippet: Statistical results of some QSAR models for hERG liability for the external test set at the threshold level of 10 μM.

Article Snippet: The Molecular ACCess System (MACCS) structural keys The MACCS structural keys were calculated using the RDKit ( http://www.rdkit.org ) in the KNIME platform [ 98 ].

Techniques:

Statistical characteristics of multiclass QSAR models for eye irritation and eye corrosion.

Journal: Artificial intelligence in the life sciences

Article Title: Novel computational models offer alternatives to animal testing for assessing eye irritation and corrosion potential of chemicals

doi: 10.1016/j.ailsci.2021.100028

Figure Lengend Snippet: Statistical characteristics of multiclass QSAR models for eye irritation and eye corrosion.

Article Snippet: MACCS structural keys [ ] are implemented in the RDKit module available in the KNIME platform, as well as Morgan fingerprints [ ].

Techniques: Generated

Statistical characteristics of binary QSAR models for eye irritation and eye corrosion assessed by 5-fold cross-validation.

Journal: Artificial intelligence in the life sciences

Article Title: Novel computational models offer alternatives to animal testing for assessing eye irritation and corrosion potential of chemicals

doi: 10.1016/j.ailsci.2021.100028

Figure Lengend Snippet: Statistical characteristics of binary QSAR models for eye irritation and eye corrosion assessed by 5-fold cross-validation.

Article Snippet: MACCS structural keys [ ] are implemented in the RDKit module available in the KNIME platform, as well as Morgan fingerprints [ ].

Techniques: Generated