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Wiley电子期刊(3)
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ACS电子期刊(25)
Springer电子图书(1)
Elsevier电子期刊(2)
在“
ACS电子期刊
”中,
命中:
25
条,耗时:小于0.01 秒
在所有数据库中总计命中:
34
条
1.
Chemical Space Mapping and Structure–Activity Analysis of the ChEMBL Antiviral Compound Set
作者:
Kyrylo Klimenko
;
Gilles Marcou
;
Dragos Horvath
;
Alexandre
Varnek
刊名:Journal of Chemical Information and Modeling
出版年:2016
2.
Structural and Physico-Chemical Interpretation (SPCI) of QSAR Models and Its Comparison with Matched Molecular Pair Analysis
作者:
Pavel Polishchuk
;
Oleg Tinkov
;
Tatiana Khristova
;
Ludmila Ognichenko
;
Anna Kosinskaya
;
Alexandre
Varnek
;
Victor Kuz’min
刊名:Journal of Chemical Information and Modeling
出版年:2016
3.
Kernel Target Alignment Parameter: A New Modelability Measure for Regression Tasks
作者:
Gilles Marcou
;
Dragos Horvath
;
Alexandre
Varnek
刊名:Journal of Chemical Information and Modeling
出版年:2016
4.
Automatized Assessment of Protective Group Reactivity: A Step Toward Big Reaction Data Analysis
作者:
Arkadii I. Lin
;
Timur I. Madzhidov
;
Olga Klimchuk
;
Ramil I. Nugmanov
;
Igor S. Antipin
;
Alexandre
Varnek
刊名:Journal of Chemical Information and Modeling
出版年:2016
5.
Prediction of Activity Cliffs Using Condensed Graphs of Reaction Representations, Descriptor Recombination, Support Vector Machine Classification, and Support Vector Regression
作者:
Dragos Horvath
;
Gilles Marcou
;
Alexandre
Varnek
;
Shilva Kayastha
;
Antonio de la Vega de León
;
Jürgen Bajorath
刊名:Journal of Chemical Information and Modeling
出版年:2016
6.
Prediction of Optimal Salinities for Surfactant Formulations Using a Quantitative Structure鈥揚roperty Relationships Approach
作者:
Christophe Muller
;
Ana G. Maldonado
;
Alexandre
Varnek
;
Benoit Creton
刊名:Energy & Fuels
出版年:2015
7.
Stargate GTM: Bridging Descriptor and Activity Spaces
作者:
H茅l茅na A. Gaspar
;
Igor I. Baskin
;
Gilles Marcou
;
Dragos Horvath
;
Alexandre
Varnek
刊名:Journal of Chemical Information and Modeling
出版年:2015
8.
Design, Virtual Screening, and Synthesis of Antagonists of 伪IIb尾3 as Antiplatelet Agents
作者:
Pavel G. Polishchuk
;
Georgiy V. Samoylenko
;
Tetiana M. Khristova
;
Olga L. Krysko
;
Tatyana A. Kabanova
;
Vladimir M. Kabanov
;
Alexander Yu. Kornylov
;
Olga Klimchuk
;
Thierry Langer
;
Sergei A. Andronati
;
Victor E. Kuz鈥檓in
;
Andrei A. Krysko
;
Alexandre
Varnek
刊名:Journal of Medicinal Chemistry
出版年:2015
9.
Chemical Data Visualization and Analysis with Incremental Generative Topographic Mapping: Big Data Challenge
作者:
H茅l茅na A. Gaspar
;
Igor I. Baskin
;
Gilles Marcou
;
Dragos Horvath
;
Alexandre
Varnek
刊名:Journal of Chemical Information and Modeling
出版年:2015
10.
Quantitative Structure鈥揚roperty Relationship Modeling: A Valuable Support in High-Throughput Screening Quality Control
作者:
Fiorella Ruggiu
;
Patrick Gizzi
;
Jean-Luc Galzi
;
Marcel Hibert
;
Jacques Haiech
;
Igor Baskin
;
Dragos Horvath
;
Gilles Marcou
;
Alexandre
Varnek
刊名:Analytical Chemistry
出版年:2014
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