About: http://hub.abes.fr/acs/periodical/jcisd8/2005/volume_45/issue_3/w

Documentation

scienceplus.abes.fr version Bêta

scienceplus.abes.fr | explorer

À propos de : http://hub.abes.fr/acs/periodical/jcisd8/2005/volume_45/issue_3/w Goto Sponge NotDistinct Permalink

Attributs	Valeurs
type	work Issue
Is Part Of	http://hub.abes.fr/acs/periodical/jcisd8/2005/volume_45
has manifestation of work	http://hub.abes.fr/acs/periodical/jcisd8/2005/volume_45/issue_3/m/print http://hub.abes.fr/acs/periodical/jcisd8/2005/volume_45/issue_3/m/web
Date Copyrighted	2005
Rights	Copyright © 2005 American Chemical Society
issue	3
Rights Holder	American Chemical Society
is Is Part Of of	Human Rhinovirus 3C Protease: Generation of Pharmacophore Models for Peptidicand Nonpeptidic Inhibitors and Their Application in Virtual Screening Molecular Modeling of DNA Cross-linking Analogues Based on the Azinomycin Scaffold Simple Method for Identification of Skeletons of Aporphine Alkaloids from 13C NMRData Using Artificial Neural Networks k Nearest Neighbors QSAR Modeling as a Variational Problem: Theory andApplications Including Tightly-Bound Water Molecules in de Novo Drug Design. Exemplificationthrough the in Silico Generation of Poly(ADP-ribose)polymerase Ligands Structure-Based Validation of the 3D-QSAR Technique MaP Distribution-Based Descriptors of the Molecular Shape Inhibition of the Tyrosine Kinase, Syk, Analyzed by Stepwise Nonparametric Regression Maximum Symmetrical Split of Molecular Graphs. Application to Organic SynthesisDesign Classification of Substrates and Inhibitors of P-Glycoprotein Using UnsupervisedMachine Learning Approach Molecular Geometry as a Source of Chemical Information. 5. SubstituentEffect on Proton Transfer in Para-Substituted Phenol Complexes withFluoridea B3LYP/6-311+G** Study Virtual Screening of Molecular Databases Using a Support Vector Machine A Fast Exchange Algorithm for Designing Focused Libraries in Lead Optimization Piecewise Hypersphere Modeling by Particle Swarm Optimization in QSAR Studies ofBioactivities of Chemical Compounds A Fourier Fingerprint-Based Method for Protein Surface Representation 3D-QSAR and Molecular Mechanics Study for the Differences in the Azole Activityagainst Yeastlike and Filamentous Fungi and Their Relation to P450DM Inhibition. 1.3-Substituted-4(3H)-quinazolinones Perimeter Topology of Benzenoid Polycyclic Hydrocarbons Evaluation of Computational Chemistry Methods: Crystallographic andCheminformatics Analysis of Aminothiazole Methoximes Encoding and Decoding Graphical Chemical Structures as Two-Dimensional (PDF417)Barcodes Database Clustering with a Combination of Fingerprint and Maximum CommonSubstructure Methods Boosting: An Ensemble Learning Tool for Compound Classification and QSARModeling Virtual Screening of 4-Anilinoquinazoline Analogues as EGFR Kinase Inhibitors: Importance of Hydrogen Bonds in the Evaluation of Poses and Scoring Functions Novel Feature Extraction Technique for Fuzzy Relational Clustering of a FlexibleDopamine Reuptake Inhibitor 3D-QSAR and Docking Studies of Selective GSK-3β Inhibitors. Comparison with aThieno[2,3-b]pyrrolizinone Derivative, a New Potential Lead for GSK-3β Ligands Small Molecule Shape-Fingerprints Interpreting Computational Neural Network QSAR Models: A Measure of DescriptorImportance General Melting Point Prediction Based on a Diverse Compound Data Set and ArtificialNeural Networks

Alternative Linked Data Documents: ODE Content Formats:

RDF

ODATA

Microdata