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Development of a Spectral Clustering Method for the Analysis of Molecular Data Sets
Gaussian Processes: A Method for Automatic QSAR Modeling of ADME Properties
ConCept: de Novo Design of Synthetic Receptors forTargeted Ligands [J. Chem. Inf. Model. 47, 425−434(2007)]
Nontraditional Careers for Chemists: New Formulas inChemistry By Lisa M. Balbes. Oxford University Press, NewYork, NY. 2007. xi + 307 pp + bibliography and indexes. ISBN0-19-518366-5, hardcover, U.S. $74.50. ISBN 0-19-518367-3,softcover, U.S. $27.95.
An Information-Based Computational Technique for Estimation of ChromatographicPeak Purity
Algorithm for Advanced Canonical Coding of Planar Chemical Structures ThatConsiders Stereochemical and Symmetric Information
Cell-Integral-Diversity Criterion: A Proposal for Minimizing Cluster Artifact inCell-Based Selections
Two Model System of the α1A-Adrenoceptor Docked with Selected Ligands
Significance of Water Molecules in the Inhibition of Cylin-DependentKinase 2 and 5 Complexes
Molecular Mechanism of the Sea Anemone Toxin ShK Recognizing the Kv1.3 ChannelExplored by Docking and Molecular Dynamic Simulations
DrugScoreRNAKnowledge-Based Scoring Function To Predict RNA−LigandInteractions
Ontology Aided Modeling of Organic Reaction Mechanisms with Flexible and FragmentBased XML Markup Procedures
Nonbonding Orbitals in Fullerenes: Nuts and Cores in Singular Polyhedral Graphs
Application of the Quiral Program to the Challenge of Myoinositol Synthesis
A Large Descriptor Set and a Probabilistic Kernel-Based Classifier SignificantlyImprove Druglikeness Classification
Improving the Performance of Self-Organizing Maps via Growing Representations
Treating Chemical Diversity in QSAR Analysis: Modeling Diverse HIV-1 IntegraseInhibitors Using 4D Fingerprints
Tandem 3D-QSARs Approach as a Valuable Tool To Predict Binding Affinity Data: Design of New Gly/NMDA Receptor Antagonists as a Key Study
Graph Theoretical Matrices in Chemistry By DušankaJanežič, Ante Miličević, Sonja Nikolić, and Nenad Trinajstić.Mathematical Chemistry Monographs MCM-3, Series EditorIvan Gutman. Faculty of Science, University of Kragujevac: Kragujevac, Serbia. 2007. vi + 205 pp. ISBN 978-96-81829-72-1. Hardcover, U.S. $95.00.
Design of New Plasmepsin Inhibitors: A Virtual High Throughput Screening Approachon the EGEE Grid
Selection of Molecules Based on Shape and Electrostatic Similarity: Proof of Concept of“Electroforms”
2D Depiction of Protein−Ligand Complexes
Toward High Throughput 3D Virtual Screening Using Spherical Harmonic SurfaceRepresentations
Linear Free Energy Relationship Correlation of the Distribution of Solutes betweenWater and Sodium Dodecyl Sulfate (SDS) Micelles and between Gas and SDS Micelles
ProtSqueeze: Simple and Effective Automated Tool for Setting up Membrane ProteinSimulations
Prediction of Ion Channel Activity Using Binary Kernel Discrimination
Supervised Scoring Models with Docked Ligand Conformations for Structure-BasedVirtual Screening
CAESAR: A New Conformer Generation Algorithm Based on Recursive Buildup andLocal Rotational Symmetry Consideration
In Silico Chemical Library Screening and Experimental Validation of a Novel9-Aminoacridine Based Lead-Inhibitor of Human S-Adenosylmethionine Decarboxylase
http://hub.abes.fr/acs/periodical/jcisd8/2007/volume_47/issue_5/101021ci7001999/w
Design of Inhibitors of the MurF Enzyme of Streptococcus pneumoniae Using Docking,3D-QSAR, and de Novo Design
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