title: ELECTRON DONOR ACCEPTOR DESCRIPTORS OF THE SINGLE AND DOUBLE BONDED SUBSTITUENT AND HETEROATOM INCORPORATION EFFECTS. A REVIEW.
abstract: The properties of the series of Electron Donor-Acceptor (EDA) descriptors of classical substituent effect (sEDA(I), pEDA(I)), double bonded substituent effect (sEDA(=), pEDA(=)), heteroatom incorporation effect in monocyclic systems (sEDA(II), pEDA(II)), and in ring-junction position (sEDA(III), pEDA(III)), are reviewed. The descriptors show the amount of electrons donated to or withdrawn from the σ-(sEDA) or π(pEDA) valence orbitals by the substituent or incorporant. The new descriptors are expected to enrich the potency of QSAR analyses in drug design and materials chemistry.
authors.forename: Andrzej
authors.initials: A
authors.lastname: Mazurek
mesh_terms: D015195:Drug Design; D004583:Electrons; D016014:Linear Models; D008958:Models, Molecular; D015394:Molecular Structure; D004364:Pharmaceutical Preparations / Q000737:chemistry* / Q000145:classification; D021281:Quantitative Structure-Activity Relationship; D011789:Quantum Theory
chemical_list: D004364:Pharmaceutical Preparations