Bruno Bienfait

发表

Development of liver knowledge and potency categories based on ontology-driven quantitative database

Chihae Yang, Vessela Vitcheva, Bruno Bienfait, 2016 .

Computational Chemistry on Commodity-Type Computers

Marc C. Nicklaus, Robert W. Williams, Milan Hodoscek, 1998, J. Chem. Inf. Comput. Sci..

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

Johann Gasteiger, Andrew P. Worth, Tomasz Magdziarz, 2015, J. Chem. Inf. Model..

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

Johannes H. Voigt, Marc C. Nicklaus, Shaomeng Wang, 2001, J. Chem. Inf. Comput. Sci..

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

Bruno Bienfait, 1994, J. Chem. Inf. Comput. Sci..

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

Johann Gasteiger, Mark T. D. Cronin, Lothar Terfloth, 2012, Journal of Cheminformatics.

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

Johann Gasteiger, Lothar Terfloth, Bruno Bienfait, 2007, J. Chem. Inf. Model..

JSME: a free molecule editor in JavaScript

Peter Ertl, Bruno Bienfait, B. Bienfait, 2013, Journal of Cheminformatics.

Enhanced CACTVS Browser of the Open NCI Database

Frank Oellien, Wolf-Dietrich Ihlenfeldt, Johannes H. Voigt, 2002, J. Chem. Inf. Comput. Sci..

Chemoinformatics in Modern Regulatory Science

Darshan Mehta, Jie Liu, Oliver Sacher, 2018 .

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

Johann Gasteiger, Oliver Sacher, Roland J. Siezen, 2014, PloS one.

In vivo data mining and in silico metabolic profiling to predict diverse hepatotoxic phenotypes: Case study of piperonyl butoxide

Chihae Yang, Aleksandra Mostrag-Szlichtyng, Oliver Sacher, 2015 .

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

Johann Gasteiger, Lothar Terfloth, Bruno Bienfait, 2007 .