ACS Journal of Chemical Information and Modeling - News Items
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Predicting Polypharmacology by Binding Site Similarity: From Kinases to the Protein Universe
Wednesday, July 28, 2010 - 02:51 PM - 2 days, 10 hours ago - Chemistry - ACS Journal of Chemical Information and Modeling 
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Introduction of Jumping Fragments in Combination with QSARs for the Assessment of Classification in Ecotoxicology
Tuesday, July 27, 2010 - 02:03 PM - 3 days, 11 hours ago - Chemistry - ACS Journal of Chemical Information and Modeling 
Journal of Chemical Information and Modeling, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).
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Protein Kinases: Docking and Homology Modeling Reliability
Tuesday, July 27, 2010 - 02:02 PM - 3 days, 11 hours ago - Chemistry - ACS Journal of Chemical Information and Modeling 
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Pharmacophore Modeling of Substituted 1,2,4-Trioxanes for Quantitative Prediction of their Antimalarial Activity†
Tuesday, July 27, 2010 - 04:59 AM - 3 days, 20 hours ago - Chemistry - ACS Journal of Chemical Information and Modeling 
Journal of Chemical Information and Modeling, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).
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Evolution of Human Receptor Binding Affinity of H1N1 Hemagglutinins from 1918 to 2009 Pandemic Influenza A Virus
Monday, July 26, 2010 - 01:09 PM - 4 days, 12 hours ago - Chemistry - ACS Journal of Chemical Information and Modeling 
Journal of Chemical Information and Modeling, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).
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Systematic Classification and Analysis of Themes in Protein−DNA Recognition
Friday, July 23, 2010 - 07:26 AM - 1 week ago - Chemistry - ACS Journal of Chemical Information and Modeling 
Journal of Chemical Information and Modeling, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).
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Model-Free Drug-Likeness from Fragments
Thursday, July 22, 2010 - 03:26 PM - 1 week, 1 day ago - Chemistry - ACS Journal of Chemical Information and Modeling 
Journal of Chemical Information and Modeling, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).
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Generation, Validation, and Utilization of a Three-Dimensional Pharmacophore Model for EP3 Antagonists
Tuesday, July 20, 2010 - 01:29 PM - 1 week, 3 days ago - Chemistry - ACS Journal of Chemical Information and Modeling 
Journal of Chemical Information and Modeling, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).
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Molecular Interaction Fields and 3D-QSAR Studies of p53−MDM2 Inhibitors Suggest Additional Features of Ligand−Target Interaction
Friday, July 16, 2010 - 09:12 AM - 2 weeks ago - Chemistry - ACS Journal of Chemical Information and Modeling 
Journal of Chemical Information and Modeling, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).
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Similarity−Potency Trees: A Method to Search for SAR Information in Compound Data Sets and Derive SAR Rules
Thursday, July 15, 2010 - 06:27 AM - 2 weeks, 1 day ago - Chemistry - ACS Journal of Chemical Information and Modeling 
Journal of Chemical Information and Modeling, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).
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Systematic Signatures for Organic Reactions
Wednesday, July 14, 2010 - 11:24 AM - 2 weeks, 2 days ago - Chemistry - ACS Journal of Chemical Information and Modeling 
Journal of Chemical Information and Modeling, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).
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HIV-1 TAR RNA Spontaneously Undergoes Relevant Apo-to-Holo Conformational Transitions in Molecular Dynamics and Constrained Geometrical Simulations
Tuesday, July 13, 2010 - 05:16 AM - 2 weeks, 3 days ago - Chemistry - ACS Journal of Chemical Information and Modeling 
Journal of Chemical Information and Modeling, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).
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Generative Models for Chemical Structures
Tuesday, July 13, 2010 - 04:48 AM - 2 weeks, 3 days ago - Chemistry - ACS Journal of Chemical Information and Modeling 
Journal of Chemical Information and Modeling, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).
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Predicting Total Clearance in Humans from Chemical Structure
Friday, July 09, 2010 - 10:34 AM - 3 weeks ago - Chemistry - ACS Journal of Chemical Information and Modeling 
Journal of Chemical Information and Modeling, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).
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Chemical Substitutions That Introduce Activity Cliffs Across Different Compound Classes and Biological Targets
Wednesday, July 07, 2010 - 02:20 PM - 3 weeks, 2 days ago - Chemistry - ACS Journal of Chemical Information and Modeling 
Journal of Chemical Information and Modeling, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).
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A General Treatment of Solubility 4. Description and Analysis of a PCA Model for Ostwald Solubility Coefficients
Thursday, July 01, 2010 - 11:58 AM - 4 weeks, 1 day ago - Chemistry - ACS Journal of Chemical Information and Modeling 
Journal of Chemical Information and Modeling, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).
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NovoFLAP: A Ligand-Based De Novo Design Approach for the Generation of Medicinally Relevant Ideas
Tuesday, June 29, 2010 - 10:39 AM - 1 month ago - Chemistry - ACS Journal of Chemical Information and Modeling 
Journal of Chemical Information and Modeling, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).
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Tautomer Identification and Tautomer Structure Generation Based on the InChI Code
Tuesday, June 29, 2010 - 10:39 AM - 1 month ago - Chemistry - ACS Journal of Chemical Information and Modeling 
Journal of Chemical Information and Modeling, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).
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One Concept, Three Implementations of 3D Pharmacophore-Based Virtual Screening: Distinct Coverage of Chemical Search Space
Monday, June 28, 2010 - 09:40 AM - 1 month ago - Chemistry - ACS Journal of Chemical Information and Modeling 
Journal of Chemical Information and Modeling, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).
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Selection of In Silico Drug Screening Results by Using Universal Active Probes (UAPs)
Friday, June 25, 2010 - 11:00 AM - 1 month ago - Chemistry - ACS Journal of Chemical Information and Modeling 
Journal of Chemical Information and Modeling, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable).
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