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1 . Academic Journal
Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop
저자
by
Fidele Ntie-Kang
;
Kiran K. Telukunta
;
Serge A. T. Fobofou
;
Victor Chukwudi Osamor
;
Samuel A. Egieyeh
, et al.
소스
Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-11 (2021)
Open Access (BioMed Central)
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7 . Academic Journal
Computational prediction of frequent hitters in target-based and cell-based assays
저자
by
Conrad Stork
;
Neann Mathai
;
Johannes Kirchmair
.
소스
Artificial Intelligence in the Life Sciences, Vol 1, Iss , Pp 100007- (2021)
Full Text (ScienceDirect)
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5 . Academic Journal
CYPstrate: A Set of Machine Learning Models for the Accurate Classification of Cytochrome P450 Enzyme Substrates and Non-Substrates
저자
by
Malte Holmer
;
Christina de Bruyn Kops
;
Conrad Stork
;
Johannes Kirchmair
.
소스
Molecules, Vol 26, Iss 15, p 4678 (2021)
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Scopus
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6 . Academic Journal
Predicting the Skin Sensitization Potential of Small Molecules with Machine Learning Models Trained on Biologically Meaningful Descriptors
저자
by
Anke Wilm
;
Marina Garcia de Lomana
;
Conrad Stork
;
Neann Mathai
;
Steffen Hirte
, et al.
소스
Pharmaceuticals, Vol 14, Iss 8, p 790 (2021)
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Scopus
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7 . Academic Journal
BonMOLière: Small-Sized Libraries of Readily Purchasable Compounds, Optimized to Produce Genuine Hits in Biological Screens across the Protein Space
저자
by
Neann Mathai
;
Conrad Stork
;
Johannes Kirchmair
.
소스
International Journal of Molecular Sciences, Vol 22, Iss 15, p 7773 (2021)
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5 . Academic Journal
GLORY: Generator of the Structures of Likely Cytochrome P450 Metabolites Based on Predicted Sites of Metabolism
저자
by
Christina de Bruyn Kops
;
Conrad Stork
;
Martin Šícho
;
Nikolay Kochev
;
Daniel Svozil
, et al.
소스
Frontiers in Chemistry, Vol 7 (2019)
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7 . Academic Journal
Skin Doctor: Machine Learning Models for Skin Sensitization Prediction that Provide Estimates and Indicators of Prediction Reliability
저자
by
Anke Wilm
;
Conrad Stork
;
Christoph Bauer
;
Andreas Schepky
;
Jochen Kühnl
, et al.
소스
International Journal of Molecular Sciences, Vol 20, Iss 19, p 4833 (2019)
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7 . Academic Journal
NP-Scout: Machine Learning Approach for the Quantification and Visualization of the Natural Product-Likeness of Small Molecules
저자
by
Ya Chen
;
Conrad Stork
;
Steffen Hirte
;
Johannes Kirchmair
.
소스
Biomolecules, Vol 9, Iss 2, p 43 (2019)
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6 .
CYPstrate: A Set of Machine Learning Models for the Accurate Classification of Cytochrome P450 Enzyme Substrates and Non-Substrates
저자
by
Christina de Bruyn Kops
;
Johannes Kirchmair
;
Conrad Stork
;
Malte Holmer
.
소스
Molecules
Volume 26
Issue 15
Molecules, Vol 26, Iss 4678, p 4678 (2021)
Open Access (OpenAIRE)
Scopus
Web of Science
JCR 저널정보
요약보기
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RefWorks
6 .
Predicting the Skin Sensitization Potential of Small Molecules with Machine Learning Models Trained on Biologically Meaningful Descriptors
저자
by
Neann Mathai
;
Steffen Hirte
;
Johannes Kirchmair
;
Conrad Stork
;
Ulf Norinder
, et al.
소스
Pharmaceuticals
Volume 14
Issue 8
Pharmaceuticals, Vol 14, Iss 790, p 790 (2021)
Open Access (OpenAIRE)
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