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Computerized chemical structure-handling techniques in structure-activity studies and molecular property prediction

https://doi.org/10.1021/ci00037a003
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Bibliography
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Introduction
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Bibliography
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Similarites De Comportement Et Formes Locales La Topologie Reflet De La Topographie
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A review of chemical structure retrieval systems
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Comparison of Fragment Weighting Schemes for Substructural Analysis
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Further Comparative Studies of Fragment Weighting Schemes for Substructural Analysis
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Identification of structural similarity of organic molecules
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Browsing and Clustering of Chemical Structures
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Ranking and Clustering of Chemical Structure Databases
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Computer — Assisted Analysis of Qualitative Structure/Activity Relations of Organic Molecules
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The Use of Similarity and Clustering Techniques for the Prediction of Molecular Properties
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A fast and efficient method for 2D and 3D molecular shape description
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Quantitative structure-activity relationships: principles, and applications to mutagenicity and carcinogenicity
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The use of mathematical logics in drug design
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Pattern associativity and the retrieval of semantic networks
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References
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QSAR modeling of blood:air and tissue:air partition coefficients using theoretical descriptors
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Quantitative Structure−Property Relationship Modeling of β-Cyclodextrin Complexation Free Energies
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“In Silico” Design of New Uranyl Extractants Based on Phosphoryl-Containing Podands: QSPR Studies, Generation and Screening of Virtual Combinatorial Library, and Experimental Tests
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QSPR Study of Critical Micelle Concentrations of Nonionic Surfactants
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A new approach to understanding structure, functions and classificasion of GABA-benzodiazepine receptor complex, a molecular target for creation of new anticonvulsants on the base of inhibitory amino acids
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Molecular Similarity and Xenobiotic Metabolism
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