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Combinatorial QSAR Modeling of Chemical Toxicants Tested against Tetrahymena pyriformis
American Chemical Society | 2008| -
SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
National licenceAmerican Chemical Society | 1988| -
MM-GB/SA Rescoring of Docking Poses in Structure-Based Lead Optimization
American Chemical Society | 2008| -
Retrieval of Crystallographically-Derived Molecular Geometry Information
American Chemical Society | 2004| -
Random Forest: A Classification and Regression Tool for Compound Classification and QSAR Modeling
American Chemical Society | 2003| -
Crystallographic studies of inter- and intramolecular interactions reflected in aromatic character of .pi.-electron systems
National licenceAmerican Chemical Society | 1993| -
The development of versions 3 and 4 of the Cambridge Structural Database System
National licenceAmerican Chemical Society | 1991| -
Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally occurring nucleoside antibiotics
National licenceAmerican Chemical Society | 1989| -
A Comparison of Field-Based Similarity Searching Methods: CatShape, FBSS, and ROCS
American Chemical Society | 2008| -
SMILES. 2. Algorithm for generation of unique SMILES notation
National licenceAmerican Chemical Society | 1989| -
Application of Genetic Function Approximation to Quantitative Structure-Activity Relationships and Quantitative Structure-Property Relationships
National licenceAmerican Chemical Society | 1994| -
Atom pairs as molecular features in structure-activity studies: definition and applications
National licenceAmerican Chemical Society | 1985| -
ESOL: Estimating Aqueous Solubility Directly from Molecular Structure
American Chemical Society | 2004| -
The Chemistry Development Kit (CDK): An Open-Source Java Library for Chemo- and Bioinformatics
American Chemical Society | 2003|
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