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Modeling Diamagnetic and Magnetooptic Properties of Organic Compounds with theTOSS-MODE Approach
Molecular Electronegative Distance Vector (MEDV) Related to 15 Properties of Alkanes
The Centroid Approximation for Mixtures: Calculating Similarity and DerivingStructure−Activity Relationships
Improving the Odds in Discriminating “Drug-like” from “Non Drug-like” Compounds
Producing 13C NMR, Infrared Absorption, and Electron Ionization Mass SpectrometricData Models of the Monodechlorination of Chlorobenzenes, Chlorophenols, andChloroanilines
Relational Expressions in STAR File Dictionaries
Improved Electron-Conformational Method of Pharmacophore Identification andBioactivity Prediction. Application to Angiotensin Converting Enzyme Inhibitors
QSAR Comparative Study of Wiener Descriptors for Weighted Molecular Graphs
Robustness of Biological Activity Spectra Predicting by Computer Program PASS forNoncongeneric Sets of Chemical Compounds
Use of Automatic Relevance Determination in QSAR Studies Using Bayesian NeuralNetworks
Pentaheptite Modifications of the Graphite Sheet
Prediction of Polar Surface Area and Drug Transport Processes Using SimpleParameters and PLS Statistics
Classification of Kinase Inhibitors Using BCUT Descriptors
Structure−Activity Relationship Studies of Substituted 17α-AcetoxyprogesteroneHormones
Three-Dimensional Moments of Molecular Property Fields
Relation between Distance-Based Topological Indices
PLUMS: a Program for the Rapid Optimization of Focused Libraries
Modeling Antimalarial Activity: Application of Kinetic Energy Density QuantumSimilarity Measures as Descriptors in QSAR
Nonlinear Mapping Networks
Correlation between Structure and Normal BoilingPoints of Acyclic Carbonyl Compounds [J. Chem. Inf.Comput. Sci. 39, 758−764 (1999)]
LeadScope: Software for Exploring Large Sets of Screening Data
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