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Toward the Comprehensive Systematic Enumeration and Synthesis of Novel Kinase Inhibitors Based on a 4-Anilinoquinazoline Binding Mode

Jason G. Kettle and Richard A. Ward

J. Chem. Inf. Model., Articles ASAP (As Soon As Publishable)

Publication Date (Web): February 9, 2010 (Article)

DOI: 10.1021/ci9004767

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Computationally Efficient Algorithm to Identify Matched Molecular Pairs (MMPs) in Large Data Sets

Jameed Hussain and Ceara Rea

J. Chem. Inf. Model., Articles ASAP (As Soon As Publishable)

Publication Date (Web): February 1, 2010 (Article)

DOI: 10.1021/ci900450m

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The Ensemble Bridge Algorithm: A New Modeling Tool for Drug Discovery Problems

Mark Culp, Kjell Johnson, George Michailidis

J. Chem. Inf. Model., Articles ASAP (As Soon As Publishable)

Publication Date (Web): February 1, 2010 (Article)

DOI: 10.1021/ci9003392

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Graph-Mining Algorithm for the Evaluation of Bond Formability

Frdric Pennerath, Gilles Niel, Philippe Vismara, Philippe Jauffret, Claude Laureno and Amedeo Napoli

J. Chem. Inf. Model., Articles ASAP (As Soon As Publishable)

Publication Date (Web): January 29, 2010 (Article)

DOI: 10.1021/ci9003909

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Pharmacophore Screening of the Protein Data Bank for Specific Binding Site Chemistry

Valrie Campagna-Slater, Andrew G. Arrowsmith, Yong Zhao and Matthieu Schapira

J. Chem. Inf. Model., Articles ASAP (As Soon As Publishable)

Publication Date (Web): January 29, 2010 (Article)

DOI: 10.1021/ci900427b

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Current Issue

The latest published issue of Journal of Chemical Information and Modeling.

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LoFT: Similarity-Driven Multiobjective Focused Library Design

J. Robert Fischer, Uta Lessel and Matthias Rarey

J. Chem. Inf. Model., 2010, 50 (1), pp 1–21

Publication Date (Web): December 18, 2009 (Article)

DOI: 10.1021/ci900287p

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Bibliometric Analysis of Chinese Research on Cyclization, MALDI-TOF, and Antibiotics

Jiang Li, Peter Willett

J. Chem. Inf. Model., 2010, 50 (1), pp 22–29

Publication Date (Web): December 23, 2009 (Article)

DOI: 10.1021/ci9003199

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A Novel Approach Using Hierarchical Clustering To Select Industrial Chemicals for Environmental Impact Assessment

Stefan Rnnar and Patrik L. Andersson

J. Chem. Inf. Model., 2010, 50 (1), pp 30–36

Publication Date (Web): January 6, 2010 (Article)

DOI: 10.1021/ci9003255

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2D Depiction of Fragment Hierarchies

Alex M. Clark

J. Chem. Inf. Model., 2010, 50 (1), pp 37–46

Publication Date (Web): December 29, 2009 (Article)

DOI: 10.1021/ci900350h

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Chemical−Text Hybrid Search Engines

Yingyao Zhou, Bin Zhou, Shumei Jiang and Frederick J. King

J. Chem. Inf. Model., 2010, 50 (1), pp 47–54

Publication Date (Web): January 4, 2010 (Article)

DOI: 10.1021/ci900380s

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Most Read Articles

Most Read articles are updated on a monthly basis and available as 1 month and 12 month lists. Below is a Top 5 excerpt from the 1 month list.

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Atom-Centered Interacting Fragments and Similarity Search Applications

Jos Batista, Lu Tan and Jrgen Bajorath

J. Chem. Inf. Model., 2010, 50 (1), pp 79–86

Publication Date (Web): December 23, 2009 (Article)

DOI: 10.1021/ci9004223

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SARANEA: A Freely Available Program To Mine Structure−Activity and Structure−Selectivity Relationship Information in Compound Data Sets

Eugen Lounkine, Mathias Wawer, Anne Mai Wassermann and Jrgen Bajorath

J. Chem. Inf. Model., 2010, 50 (1), pp 68–78

Publication Date (Web): January 7, 2010 (Article)

DOI: 10.1021/ci900416a

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Alignment-Free Ultra-High-Throughput Comparison of Druggable Protein−Ligand Binding Sites

Nathanal Weill and Didier Rognan

J. Chem. Inf. Model., 2010, 50 (1), pp 123–135

Publication Date (Web): January 8, 2010 (Article)

DOI: 10.1021/ci900349y

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Current Trends in Ligand-Based Virtual Screening: Molecular Representations, Data Mining Methods, New Application Areas, and Performance Evaluation

Hanna Geppert, Martin Vogt and Jrgen Bajorath

J. Chem. Inf. Model., Articles ASAP (As Soon As Publishable)

Publication Date (Web): January 20, 2010 (Perspective)

DOI: 10.1021/ci900419k

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2D Depiction of Fragment Hierarchies

Alex M. Clark

J. Chem. Inf. Model., 2010, 50 (1), pp 37–46

Publication Date (Web): December 29, 2009 (Article)

DOI: 10.1021/ci900350h

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Most Cited Articles

Most Cited articles are updated on a monthly basis and available as Last 3 Years and All Time lists. Citation data is made available by participants in CrossRef's Cited-by Linking service. Below is an excerpt from the Last 3 Years list (published across all volumes). For a more comprehensive list of citations, users are encouraged to perform a search in SciFinder.

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The development of versions 3 and 4 of the Cambridge Structural Database System

Frank H. Allen, John E. Davies, Jean J. Galloy, Owen Johnson, Olga Kennard, Clare F. Macrae, Eleanor M. Mitchell, Gary F. Mitchell, J. Michael Smith, David G. Watson

J. Chem. Inf. Comput. Sci., 1991, 31 (2), pp 187–204

Publication Date: May 1991 (Article)

DOI: 10.1021/ci00002a004

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The United Kingdom Chemical Database Service

David A. Fletcher, Robert F. McMeeking, and Donald Parkin

J. Chem. Inf. Comput. Sci., 1996, 36 (4), pp 746–749

Publication Date (Web): July 24, 1996 (Article)

DOI: 10.1021/ci960015+

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Chemical Similarity Searching

Peter WillettJohn M. Barnard and Geoffrey M. Downs

J. Chem. Inf. Comput. Sci., 1998, 38 (6), pp 983–996

Publication Date (Web): July 21, 1998 (Article)

DOI: 10.1021/ci9800211

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SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

David Weininger

J. Chem. Inf. Comput. Sci., 1988, 28 (1), pp 31–36

Publication Date: February 1988 (Article)

DOI: 10.1021/ci00057a005

First Page

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Use of Structure−Activity Data To Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection

Robert D. Brown and Yvonne C. Martin

J. Chem. Inf. Comput. Sci., 1996, 36 (3), pp 572–584

Publication Date (Web): May 23, 1996 (Article)

DOI: 10.1021/ci9501047

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