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B. Bienfait · SciRah

Researcher profile · Semantic Scholar

B. Bienfait

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B. Bienfait — researcher profile on SciRah

h-index: 15
Works: 32
Citations: 1,378

Most-cited papers

JSME: a free molecule editor in JavaScript
B. Bienfait, P. Ertl
2013Journal of Cheminformatics277 citations Open access
Semantic Scholar
Comparison of the NCI Open Database with Seven Large Chemical Structural Databases
J. Voigt, B. Bienfait, Shaomeng Wang, M. Nicklaus
2001Journal of chemical information and computer sciences209 citations
Semantic Scholar
New Publicly Available Chemical Query Language, CSRML, To Support Chemotype Representations for Application to Data Mining and Modeling
Chihae Yang, A. Tarkhov, Jörg Marusczyk, B. Bienfait +11 more
2015Journal of Chemical Information and Modeling193 citations
Semantic Scholar
Enhanced CACTVS Browser of the Open NCI Database
W. Ihlenfeldt, J. Voigt, B. Bienfait, Frank Oellien +1 more
2002Journal of chemical information and computer sciences111 citations
Semantic Scholar
beta2-chimaerin is a novel target for diacylglycerol: binding properties and changes in subcellular localization mediated by ligand binding to its C1 domain.
M. J. Caloca, M. García-Bermejo, P. Blumberg, N. Lewin +7 more
1999Proceedings of the National Academy of Sciences of the United States of America97 citations Open access
Semantic Scholar
Ligand-Based Models for the Isoform Specificity of Cytochrome P450 3A4, 2D6, and 2C9 Substrates
L. Terfloth, B. Bienfait, J. Gasteiger
2007Journal of Chemical Information and Modeling84 citations
Semantic Scholar
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*
Q. Wang, T. Fang, D. Fenick, S. Garfield +3 more
2000Journal of Biological Chemistry76 citations Open access
Semantic Scholar
Conformationally constrained analogues of diacylglycerol (DAG). 16. How much structural complexity is necessary for recognition and high binding affinity to protein kinase C?
K. Nacro, B. Bienfait, Jeewoo Lee, Kee-Chung Han +6 more
2000Journal of Medicinal Chemistry65 citations Open access
Semantic Scholar
Applications of High-Resolution Self-Organizing Maps to Retrosynthetic and QSAR Analysis
B. Bienfait
1994Journal of chemical information and computer sciences49 citations
Semantic Scholar
Combining Chemoinformatics with Bioinformatics: In Silico Prediction of Bacterial Flavor-Forming Pathways by a Chemical Systems Biology Approach “Reverse Pathway Engineering”
Meng-Jin Liu, B. Bienfait, O. Sacher, J. Gasteiger +3 more
2014PLoS ONE43 citations Open access
Semantic Scholar
A New CSRML Structure-Based Fingerprint Method for Profiling and Categorizing Per- and Polyfluoroalkyl Substances (PFAS)
A. Richard, Ryan R. Lougee, M. Adams, Hannah Hidle +6 more
2023Chemical Research in Toxicology27 citations Open access
Semantic Scholar
Conformationally constrained analogues of diacylglycerol (DAG). 17. Contrast between sn-1 and sn-2 DAG lactones in binding to protein kinase C.
Hirokazu Tamamura, B. Bienfait, K. Nacro, N. Lewin +2 more
2000Journal of Medicinal Chemistry22 citations Open access
Semantic Scholar
COSMOS next generation – A public knowledge base leveraging chemical and biological data to support the regulatory assessment of chemicals
Chihae Yang, M. Cronin, K. Arvidson, B. Bienfait +22 more
2021Computational Toxicology20 citations Open access
Semantic Scholar
Applications of Integrated Data Mining Methods to Exploring Natural Product Space for Acetylcholinesterase Inhibitors
D. Schuster, Lisa Kern, Dimitar Hristozov, L. Terfloth +9 more
2010Combinatorial chemistry & high throughput screening20 citations Open access
Semantic Scholar
The role of a molecular informatics platform to support next generation risk assessment
Chihae Yang, J. Rathman, B. Bienfait, M. Burbank +19 more
2023Computational Toxicology15 citations Open access
Semantic Scholar
Conformationally constrained analogues of diacylglycerol (DAG). 15. The indispensable role of the sn-1 and sn-2 carbonyls in the binding of DAG-lactones to protein kinase C (PK-C).
S. Benzaria, B. Bienfait, K. Nacro, Shao-Meng Wang +4 more
1998Bioorganic & Medicinal Chemistry Letters15 citations Open access
Semantic Scholar
β-Cyanocyclobutenone as a highly reactive dienophile in comparison to β-cyanocyclopentenone.
B. Bienfait, G. Coppe-Motte, R. Merényi, H. Viehe +2 more
199113 citations
Semantic Scholar
b 2-Chimaerin is a novel target for diacylglycerol : Binding properties and changes in subcellular localization mediated by ligand binding to its C 1 domain
M. J. Caloca, M. García-Bermejo, P. Blumberg, N. Lewin +7 more
199912 citations
Semantic Scholar
Development of a Battery of In Silico Prediction Tools for Drug-Induced Liver Injury from the Vantage Point of Translational Safety Assessment.
J. Rathman, Chihae Yang, J. Ribeiro, A. Mostrag +6 more
2020Chemical Research in Toxicology10 citations
Semantic Scholar
Computational Chemistry on Commodity-Type Computers
M. Nicklaus, Robert W. Williams, B. Bienfait, Eric S. Billings +1 more
1998Journal of chemical information and computer sciences10 citations
Semantic Scholar
Ligand‐Based Models for the Isoform Specificity of Cytochrome P450 3A4, 2D6, and 2C9 Substrates.
L. Terfloth, B. Bienfait, J. Gasteiger
20074 citations
Semantic Scholar
In vivo data mining and in silico metabolic profiling to predict diverse hepatotoxic phenotypes: Case study of piperonyl butoxide
V. Vitcheva, A. Mostrag-Szlichtyng, O. Sacher, B. Bienfait +6 more
20153 citations
Semantic Scholar
A reliable workflow for in silico assessment of genetic toxicity and application to pharmaceutical genotoxic impurities
C. Schwab, J. Rathman, J. Marusczyk, A. Mostrag +3 more
20162 citations
Semantic Scholar
Quantifying intrinsic chemical reactivity of molecular structural features for protein binding and reactive toxicity, using the MOSES chemoinformatics system
J. Schwöbel, B. Bienfait, J. Gasteiger, Thomas Kleinöder +6 more
2012Journal of Cheminformatics2 citations Open access
Semantic Scholar
ToxGPS, a solution guiding read-across workflow based on chemoinformatics and safety assessment
Chihae Yang, B. Bienfait, M. Cronin, E. Fioravanzo +12 more
2018Toxicology Letters1 citations
Semantic Scholar
Chemoinformatics in Modern Regulatory Science
Chihae Yang, J. Rathman, A. Tarkhov, O. Sacher +8 more
20181 citations
Semantic Scholar
An extended mechanistically-based in silico profiler for liver toxicity
M. Cronin, B. Bienfait, D. Ebbrell, S. Enoch +6 more
2018Toxicology Letters0 citations
Semantic Scholar
Toward establishing a standardized process and tool within the read-across workflow: A case study of agrochemicals for reproductive toxicity
S. Kovarich, B. Bienfait, L. Ceriani, E. Fioravanzo +9 more
20170 citations
Semantic Scholar
In silico assessment of drug-induced liver injury in humans
Chihae Yang, S. Thakkar, A. Mostrag, V. Gombar +3 more
20160 citations
Semantic Scholar
Development of liver knowledge and potency categories based on ontology-driven quantitative database
Chihae Yang, V. Vitcheva, B. Bienfait, A. Tarkhov
20160 citations
Semantic Scholar
β‐Cyanocyclobutenone as a Highly Reactive Dienophile in Comparison to β‐Cyanocyclopentenone.
B. Bienfait, G. Coppe-Motte, R. Merényi, H. Viehe +2 more
19920 citations
Semantic Scholar
A very fast program for ESR spectrum simulation
B. Bienfait
19900 citations
Semantic Scholar

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