Zobrazeno 1 - 10
of 23
pro vyhledávání: '"Jay Russell Niemelä"'
Autor:
Jay Russell Niemelä, Gunde Egeskov Jensen, Eva Bay Wedebye, Tine Ringsted, Nikolai Georgiev Nikolov
Publikováno v:
SAR and QSAR in Environmental Research. 20:309-325
Human Cytochrome P450 (CYP) is a large group of enzymes that possess an essential function in metabolising different exogenous and endogenous compounds. Humans have more than 50 different genes encoding CYP enzymes, among these a gene encoding for th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d48e91bd5f46b124ed1f9a7eab823907
https://doi.org/10.1080/10629360902949195
https://doi.org/10.1080/10629360902949195
Publikováno v:
Chemical Research in Toxicology. 21:813-823
We have screened 397 chemicals for human androgen receptor (AR) antagonism by a sensitive reporter gene assay to generate data for the development of a quantitative structure-activity relationship (QSAR) model. A total of 523 chemicals comprising dat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ad2a4c0f04c44412006bfed046a395e7
https://doi.org/10.1021/tx7002382
https://doi.org/10.1021/tx7002382
Autor:
Jay Russell Niemelä, Eva Bay Wedebye, Svava Ósk Jónsdóttir, Nikolai Georgiev Nikolov, Marianne Dybdahl
Publikováno v:
Reproductive toxicology (Elmsford, N.Y.). 55
The ChemScreen project aimed to develop a screening system for reproductive toxicity based on alternative methods. QSARs can, if adequate, contribute to the evaluation of chemical substances under REACH and may in some cases be applied instead of exp
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4b78adb1828214c1e16699ca96e17e1d
https://pubmed.ncbi.nlm.nih.gov/25797653
https://pubmed.ncbi.nlm.nih.gov/25797653
Publikováno v:
Methods in Molecular Biology ISBN: 9781627030588
Computer-based representation of chemicals makes it possible to organize data in chemical databases-collections of chemical structures and associated properties. Databases are widely used wherever efficient processing of chemical information is neede
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::23b0546f037f8ee217671ec1f9201b58
https://doi.org/10.1007/978-1-62703-059-5_2
https://doi.org/10.1007/978-1-62703-059-5_2
Autor:
Jay Russell Niemelä, Marianne Dybdahl, Svava Ósk Jónsdóttir, Nikolai Georgiev Nikolov, Eva Bay Wedebye
Publikováno v:
Toxicology and applied pharmacology. 262(3)
The pregnane X receptor (PXR) has a key role in regulating the metabolism and transport of structurally diverse endogenous and exogenous compounds. Activation of PXR has the potential to initiate adverse effects, causing drug-drug interactions, and p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8abffb8352ec1f0244b470357ffcf01d
https://pubmed.ncbi.nlm.nih.gov/22627063
https://pubmed.ncbi.nlm.nih.gov/22627063
Autor:
Nikolai Georgiev Nikolov, Eva Bay Wedebye, Svava Ósk Jónsdóttir, Marianne Dybdahl, Jay Russell Niemelä, Tine Ringsted
Publikováno v:
Bioorganicmedicinal chemistry. 20(6)
This paper presents four new QSAR models for CYP2C9 and CYP2D6 substrate recognition and inhibitor identification based on human clinical data. The models were used to screen a large data set of environmental chemicals for CYP activity, and to analyz
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dba3d790f4dfd036ed54ca3d95b6dfd6
https://pubmed.ncbi.nlm.nih.gov/22364953
https://pubmed.ncbi.nlm.nih.gov/22364953
Autor:
Gunde Egeskov Jensen, Tine Ringsted, Jay Russell Niemelä, Nikolai Georgiev Nikolov, Eva Bay Wedebye
Publikováno v:
SAR and QSAR in environmental research. 22(1-2)
Three modelling systems (MultiCase®, LeadScope® and MDL® QSAR) were used for construction of androgenic receptor antagonist models. There were 923-942 chemicals in the training sets. The models were cross-validated (leave-groups-out) with concorda
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::27ff54027387e0c6d4d84ea8e19f9cfe
https://pubmed.ncbi.nlm.nih.gov/21391140
https://pubmed.ncbi.nlm.nih.gov/21391140
Autor:
Mike I. H. Comber, David W. Roberts, Ovanes G. Mekenyan, Petra S. Kern, Grace Patlewicz, Charlotte Bernhard Madsen, Lawrence K. Low, Jay Russell Niemelä, S. Dimitrov, Gergana Dimitrova, Paul T. Bailey, Eva Bay Wedebye, Richard D. Phillips, Aynur O. Aptula
Publikováno v:
Technical University of Denmark Orbit
The TImes MEtabolism Simulator platform used for predicting skin sensitization (TIMES-SS) is a hybrid expert system that was developed at Bourgas University using funding and data from a consortium comprised of industry and regulators. TIMES-SS encod
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::75106c02ca23354654384d87b30eceff
https://pubmed.ncbi.nlm.nih.gov/17713962
https://pubmed.ncbi.nlm.nih.gov/17713962
Autor:
Ovanes G. Mekenyan, Grace Patlewicz, Paul T. Bailey, Charlotte Bernhard Madsen, David W. Roberts, Eva Bay Wedebye, Petra S. Kern, Lawrence K. Low, S. Dimitrov, Jay Russell Niemelä, Mike I. H. Comber, Gergana Dimitrova, Aynur O. Aptula, Richard D. Phillips
Publikováno v:
Regulatory toxicology and pharmacology : RTP. 48(2)
The TImes MEtabolism Simulator platform used for predicting Skin Sensitization (TIMES-SS) is a hybrid expert system that was developed at Bourgas University using funding and data from a Consortium comprising industry and regulators. The model was de
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f72f2b16ddb87c7030e4f28ac022d0a1
https://pubmed.ncbi.nlm.nih.gov/17467128
https://pubmed.ncbi.nlm.nih.gov/17467128
Autor:
Nadezhda Dimitrova, Grace Patlewicz, Jay Russell Niemelä, Ovanes Mekenyan, S. Dimitrov, Todor Pavlov, Gergana Dimitrova
Publikováno v:
Journal of chemical information and modeling. 45(4)
A stepwise approach for determining the model applicability domain is proposed. Four stages are applied to account for the diversity and complexity of the current SAR/QSAR models, reflecting their mechanistic rationality (including metabolic activati
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7d1e4097995d1c846c684b108b4ce582
https://pubmed.ncbi.nlm.nih.gov/16045276
https://pubmed.ncbi.nlm.nih.gov/16045276