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ACS电子期刊(116)
在“
ACS电子期刊
”中,
命中:
116
条,耗时:小于0.01 秒
在所有数据库中总计命中:
194
条
1.
Monitoring the Progression of Structure–Activity Relationship Information during Lead Optimization
作者:
Veerabahu Shanmugasundaram
;
Liying Zhang
;
Shilva Kayastha
;
Antonio de la Vega de León
;
Dilyana Dimova
;
Jü
rgen
Bajorath
刊名:Journal of Medicinal Chemistry
出版年:2016
2.
Computational Exploration of Molecular Scaffolds in Medicinal Chemistry
作者:
Ye Hu
;
Dagmar Stumpfe
;
Jü
rgen
Bajorath
刊名:Journal of Medicinal Chemistry
出版年:2016
3.
Computational Method for the Systematic Identification of Analog Series and Key Compounds Representing Series and Their Biological Activity Profiles
作者:
Dagmar Stumpfe
;
Dilyana Dimova
;
Jü
rgen
Bajorath
刊名:Journal of Medicinal Chemistry
出版年:2016
4.
Three-Dimensional Similarity in Molecular Docking: Prioritizing Ligand Poses on the Basis of Experimental Binding Modes
作者:
Andrew Anighoro
;
Jü
rgen
Bajorath
刊名:Journal of Chemical Information and Modeling
出版年:2016
5.
Assessing the Growth of Bioactive Compounds and Scaffolds over Time: Implications for Lead Discovery and Scaffold Hopping
作者:
Swarit Jasial
;
Ye Hu
;
Jü
rgen
Bajorath
刊名:Journal of Chemical Information and Modeling
出版年:2016
6.
Advances in Computational Medicinal Chemistry: A Reflection on the Evolution of the Field and Perspective Going Forward
作者:
Brian K. Shoichet (Guest Editor)
;
W. Patrick Walters (Guest Editor)
;
Hualiang Jiang (Associate Editor)
;
Jü
rgen
Bajorath
(Associate Editor)
刊名:Journal of Medicinal Chemistry
出版年:2016
7.
Highly Promiscuous Small Molecules from Biological Screening Assays Include Many Pan-Assay Interference Compounds but Also Candidates for Polypharmacology
作者:
Erik Gilberg
;
Swarit Jasial
;
Dagmar Stumpfe
;
Dilyana Dimova
;
Jü
rgen
Bajorath
刊名:Journal of Medicinal Chemistry
出版年:2016
8.
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
;
Jü
rgen
Bajorath
刊名:Journal of Chemical Information and Modeling
出版年:2016
9.
Computational Methods for Drug Discovery and Design
作者:
Alexander Tropsha (Associate Editor)
;
Jü
rgen
Bajorath
(Associate Editor)
刊名:Journal of Medicinal Chemistry
出版年:2016
10.
Visualization and Interpretation of Support Vector Machine Activity Predictions
作者:
Jenny Balfer
;
J眉
rgen
Bajorath
刊名:Journal of Chemical Information and Modeling
出版年:2015
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