Representation of Chemical Information in OASIS Centralized 3D Database for Existing Chemicals - DTU Orbit

‹ Back to search result

Representation of Chemical Information in OASIS Centralized 3D Database for Existing Chemicals

Publication: Research - peer-review › Journal article – Annual report year: 2006

DOI

10.1021/ci060142y

From the same journal

Discovery of a novel selective PPARγ ligand with partial agonist binding properties by integrated in silico / in vitro work flow
Publication: Research - peer-review › Journal article – Annual report year: 2013
ThermoData Engine (TDE): Software Implementation of the Dynamic Data Evaluation Concept. 8. Properties of Material Streams and Solvent Design
Publication: Research - peer-review › Journal article – Annual report year: 2013
Accurate Stabilities of Laccase Mutants Predicted with a Modified FoldX Protocol
Publication: Research - peer-review › Journal article – Annual report year: 2012
Estimation of environment-related properties of chemicals for design of sustainable processes: Development of group-contribution+ (GC+) models and uncertainty analysis
Publication: Research - peer-review › Journal article – Annual report year: 2012
Structure-Based Prediction of Subtype Selectivity of Histamine H₃ Receptor Selective Antagonists in Clinical Trials
Publication: Research - peer-review › Journal article – Annual report year: 2011

By the same authors

Accessing and using chemical databases.
Publication: Research - peer-review › Book chapter – Annual report year: 2013
Identification of cytochrome P450 2D6 and 2C9 substrates and inhibitors by QSAR analysis
Publication: Research - peer-review › Journal article – Annual report year: 2012
QSAR Model for Androgen Receptor Antagonism - Data from CHO Cell Reporter Gene Assays
Publication: Research - peer-review › Journal article – Annual report year: 2012
QSAR model for human pregnane X receptor (PXR) binding: Screening of environmental chemicals and correlations with genotoxicity, endocrine disruption and teratogenicity
Publication: Research - peer-review › Journal article – Annual report year: 2012
Lack of genotoxic potential of acetylated monoglyceride: An alternative plasticiser to phthalates
Publication: Research - peer-review › Conference article – Annual report year: 2011

Author: Nikolov, Nikolai Georgiev
Division of Toxicology and Risk Assessment, National Food Institute, Technical University of Denmark, Mørkhøj Bygade 19, 2860, Søborg
Email:
Author: Grancharov, Vanio
Author: Stoyanova, Galina
Author: Pavlov, Todor
Author: Mekenyan, Ovanes

View graph of relations

Original language	English
Journal	Journal of Chemical Information and Modeling
Publication date	2006
Volume	46
Journal number	6
Pages	2537-2551
ISSN	1549-9596
DOIs	http://dx.doi.org/10.1021/ci060142y
State	Published

Citations	Web of Science® Times Cited: 6

ID: 4039573