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New Publicly Available Chemical Query Language, CSRML, To Support Chemotype Representations for Application to Data Mining and Modeling

Journal of chemical information and modeling, 2015-03, Vol.55 (3), p.510-528

2015

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JSME: a free molecule editor in JavaScript

Journal of cheminformatics, 2013-05, Vol.5 (1), p.24-24, Article 24

2013

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Combining chemoinformatics with bioinformatics: in silico prediction of bacterial flavor-forming pathways by a chemical systems biology approach "reverse pathway engineering"

PloS one, 2014-01, Vol.9 (1), p.e84769-e84769

2014

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A New CSRML Structure-Based Fingerprint Method for Profiling and Categorizing Per- and Polyfluoroalkyl Substances (PFAS)

Chemical research in toxicology, 2023-03, Vol.36 (3), p.508-534

2023

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Applications of integrated data mining methods to exploring natural product space for acetylcholinesterase inhibitors

Combinatorial chemistry & high throughput screening, 2010-01, Vol.13 (1), p.54

2010

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Ligand-Based Models for the Isoform Specificity of Cytochrome P450 3A4, 2D6, and 2C9 Substrates

Journal of chemical information and modeling, 2007-07, Vol.47 (4), p.1688-1701

2007

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β2-Chimaerin is a novel target for diacylglycerol: Binding properties and changes in subcellular localization mediated by ligand binding to its C1 domain

Proceedings of the National Academy of Sciences - PNAS, 1999-10, Vol.96 (21), p.11854-11859

1999

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Development of a Battery of In Silico Prediction Tools for Drug-Induced Liver Injury from the Vantage Point of Translational Safety Assessment

Chemical research in toxicology, 2021-02, Vol.34 (2), p.601-615

2021

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Quantifying intrinsic chemical reactivity of molecular structural features for protein binding and reactive toxicity, using the MOSES chemoinformatics system

Journal of cheminformatics, 2012-05, Vol.4 (Suppl 1), p.O8-O8, Article O8

2012

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Enhanced CACTVS Browser of the Open NCI Database

Journal of Chemical Information and Computer Sciences, 2002-01, Vol.42 (1), p.46-57

2002

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Toward establishing a standardized process and tool within the read-across workflow: A case study of agrochemicals for reproductive toxicity

Toxicology letters, 2017-10, Vol.280, p.S285-S286

2017

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The role of a molecular informatics platform to support next generation risk assessment

Computational toxicology, 2023-05, Vol.26, p.100272, Article 100272

2023

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β 2-Chimaerin Is a Novel Target for Diacylglycerol: Binding Properties and Changes in Subcellular Localization Mediated by Ligand Binding to Its C1 Domain

Proceedings of the National Academy of Sciences - PNAS, 1999-10, Vol.96 (21), p.11854-11859

1999

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The Lipophilicity of Phorbol Esters as a Critical Factor in Determining the Pattern of Translocation of Protein Kinase C δ Fused to Green Fluorescent Protein

The Journal of biological chemistry, 2000-04, Vol.275 (16), p.12136-12146

2000

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Comparison of the NCI Open Database with Seven Large Chemical Structural Databases

Journal of Chemical Information and Computer Sciences, 2001-05, Vol.41 (3), p.702-712

2001

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Combining Chemoinformatics with Bioinformatics: In Silico Prediction of Bacterial Flavor-Forming Pathways by a Chemical Systems Biology Approach "Reverse Pathway Engineering": e84769

PloS one, 2014-01, Vol.9 (1)

2014

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Conformationally Constrained Analogues of Diacylglycerol (DAG). 16. How Much Structural Complexity Is Necessary for Recognition and High Binding Affinity to Protein Kinase C?

Journal of medicinal chemistry, 2000-03, Vol.43 (5), p.921-944

2000

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Applications of High-Resolution Self-Organizing Maps to Retrosynthetic and QSAR Analysis

Journal of chemical information and computer sciences, 1994-07, Vol.34 (4), p.890-898

Bienfait, Bruno

1994

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Conformationally Constrained Analogues of Diacylglycerol (DAG). 17. Contrast between sn-1 and sn-2 DAG Lactones in Binding to Protein Kinase C

Journal of medicinal chemistry, 2000-08, Vol.43 (17), p.3210-3217

2000

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The Transition from a Pharmacophore-Guided Approach to a Receptor-Guided Approach in the Design of Potent Protein Kinase C Ligands

Pharmacology & therapeutics (Oxford), 1999-05, Vol.82 (2), p.251-261

1999

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Checking the Projection Display of Multivariate Data with Colored Graphs

Journal of molecular graphics & modelling, 1997-08, Vol.15 (4), p.203-215

1997

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Conformationally constrained analogues of diacylglycerol (DAG). 15.1 The indispensable role of the sn-1 and sn-2 carbonyls in the binding of DAG-lactones to protein kinase C (PK-C)

Bioorganic & medicinal chemistry letters, 1998-12, Vol.8 (23), p.3403-3408

1998

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Corrigendum to “Diacylglycerols with lipophilically equivalent branched acyl chains display high affinity for protein kinase C (PK-C). a direct measure of the effect of constraining the glycerol backbone in DAG lactones”: ( Biorg. Med. Chem. Lett.2000, 10, 653–655)

Bioorganic & medicinal chemistry letters, 2000-06, Vol.10 (12), p.1401-1401

2000

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The Lipophilicity of Phorbol Esters as a Critical Factor in Determining the Pattern of Translocation of Protein Kinase C Î´ Fused to Green Fluorescent Protein

The Journal of biological chemistry, 2000-04, Vol.275 (16), p.12136

2000

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Diacylglycerols with lipophilically equivalent branched acyl chains display high affinity for protein kinase C (PK-C). A direct measure of the effect of constraining the glycerol backbone in DAG lactones

Bioorganic & medicinal chemistry letters, 2000-04, Vol.10 (7), p.653-655

2000

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New Publicly Available Chemical Query Language, CSRML, To Support Chemotype Representations for Application to Data Mining and Modeling

JSME: a free molecule editor in JavaScript

Combining chemoinformatics with bioinformatics: in silico prediction of bacterial flavor-forming pathways by a chemical systems biology approach "reverse pathway engineering"

A New CSRML Structure-Based Fingerprint Method for Profiling and Categorizing Per- and Polyfluoroalkyl Substances (PFAS)

Applications of integrated data mining methods to exploring natural product space for acetylcholinesterase inhibitors

Ligand-Based Models for the Isoform Specificity of Cytochrome P450 3A4, 2D6, and 2C9 Substrates

β2-Chimaerin is a novel target for diacylglycerol: Binding properties and changes in subcellular localization mediated by ligand binding to its C1 domain

Development of a Battery of In Silico Prediction Tools for Drug-Induced Liver Injury from the Vantage Point of Translational Safety Assessment

Quantifying intrinsic chemical reactivity of molecular structural features for protein binding and reactive toxicity, using the MOSES chemoinformatics system

Enhanced CACTVS Browser of the Open NCI Database

Toward establishing a standardized process and tool within the read-across workflow: A case study of agrochemicals for reproductive toxicity

The role of a molecular informatics platform to support next generation risk assessment

β 2-Chimaerin Is a Novel Target for Diacylglycerol: Binding Properties and Changes in Subcellular Localization Mediated by Ligand Binding to Its C1 Domain

The Lipophilicity of Phorbol Esters as a Critical Factor in Determining the Pattern of Translocation of Protein Kinase C δ Fused to Green Fluorescent Protein

Comparison of the NCI Open Database with Seven Large Chemical Structural Databases

Combining Chemoinformatics with Bioinformatics: In Silico Prediction of Bacterial Flavor-Forming Pathways by a Chemical Systems Biology Approach "Reverse Pathway Engineering": e84769

Conformationally Constrained Analogues of Diacylglycerol (DAG). 16. How Much Structural Complexity Is Necessary for Recognition and High Binding Affinity to Protein Kinase C?

Applications of High-Resolution Self-Organizing Maps to Retrosynthetic and QSAR Analysis

Conformationally Constrained Analogues of Diacylglycerol (DAG). 17. Contrast between sn-1 and sn-2 DAG Lactones in Binding to Protein Kinase C

The Transition from a Pharmacophore-Guided Approach to a Receptor-Guided Approach in the Design of Potent Protein Kinase C Ligands

Checking the Projection Display of Multivariate Data with Colored Graphs

Conformationally constrained analogues of diacylglycerol (DAG). 15.1 The indispensable role of the sn-1 and sn-2 carbonyls in the binding of DAG-lactones to protein kinase C (PK-C)

Corrigendum to “Diacylglycerols with lipophilically equivalent branched acyl chains display high affinity for protein kinase C (PK-C). a direct measure of the effect of constraining the glycerol backbone in DAG lactones”: ( Biorg. Med. Chem. Lett.2000, 10, 653–655)

The Lipophilicity of Phorbol Esters as a Critical Factor in Determining the Pattern of Translocation of Protein Kinase C Î´ Fused to Green Fluorescent Protein

Diacylglycerols with lipophilically equivalent branched acyl chains display high affinity for protein kinase C (PK-C). A direct measure of the effect of constraining the glycerol backbone in DAG lactones

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