Concepedia

4D-QSAR analysis and pharmacophore modeling: Electron conformational-genetic algorithm approach for penicillins

Ersin Yanmaz, Emin Sarıpınar, Kader Şahin, Nazmiye Geçen, Fatih Çopur

Bioorganic & Medicinal Chemistry · 2011 · 24 citations · 37 references

Concepts

PharmacyMedicinal ChemistryPharmacologyDrug DesignDrug DiscoveryPharmacophore ModelingComputational Drug DiscoveryMolecular DockingMolecular ModelingProtein-ligand DockingQuantitative Structure-activity RelationshipsStructure-based Pharmacophore ModelingMolecular Descriptors For Drug-likenessPharmacophore Model ConstructionProperty-based Drug DesignStructure-activity Relationship ModelingStructure-based Ligand DesignStructure-based Pharmacophore DesignStructure-based Pharmacophore Generation

References

37

Electrophilicity Index

Robert G. Parr, László von Szentpály, Shubin Liu · Journal of the American Chemical Society · 1999 · 7.3K citations

Natural Sciences, Chemistry, Organic Chemistry +3

The Conservation of Orbital Symmetry

R. B. Woodward, Roald Hoffmann · Angewandte Chemie International Edition in English · 1969 · 4.1K citations

Natural Sciences, Physics, Quantum Mechanics +8

Cross-Validatory Estimation of the Number of Components in Factor and Principal Components Models

Svante Wold · Technometrics · 1978 · 2.5K citations

Business, Biostatistics, Mass Spectrometric Analysis +10

A Molecular Orbital Theory of Reactivity in Aromatic Hydrocarbons

Kenichi Fukui, Teijiro Yonezawa, Haruo Shingu · The Journal of Chemical Physics · 1952 · 2.3K citations · Full text

Natural Sciences, Chemistry, Physical Chemistry +16

Molecular Orbital Theory of Orientation in Aromatic, Heteroaromatic, and Other Conjugated Molecules

Kenichi Fukui, Teijiro Yonezawa, Chikayoshi Nagata et al. · The Journal of Chemical Physics · 1954 · 727 citations

Natural Sciences, Chemistry, Organic Chemistry +16