Molecular Quantum Similarity Analysis of Estrogenic Activity.

ChemInform Abstract: Identification of A

ChemInform Abstract: Identification of Active Molecular Sites Using Quantum-Self-Similarity Measures.

✍ Lluis Amat; Emili Besalu; Ramon Carbo-Dorca; Robert Ponec 📂 Article 📅 2010 🏛 John Wiley and Sons ⚖ 24 KB 👁 1 views

## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable v

Molecular docking and comparative molecu

Molecular docking and comparative molecular similarity indices analysis of estrogenicity of polybrominated diphenyl ethers and their analogues

✍ Weihua Yang; Xiaohua Liu; Hongling Liu; Yang Wu; John P. Giesy; Hongxia Yu 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 319 KB

Molecular similarity analysis on biologi

✍ György M. Keserű; Mihály Nógrádi 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 412 KB

Conformational analysis of marchantin A (l), a bis(diary1ether) type, and riccardin A (2), a diarylether-biphenyl type macrocyclic bis(bibenzy1) was carried out by systematic unbounded multiple minimum search (SUMM). Mobility of the macrocyclic rings was analysed by variable temperature 'H-NMR study

Aromaticity in linear polyacenes: Genera

Aromaticity in linear polyacenes: Generalized population analysis and molecular quantum similarity approach

✍ Patrick Bultinck; Robert Ponec; Ramon Carbó-Dorca 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 232 KB

## Abstract The relative aromaticity of benzenoid rings in the linear polyacenes is investigated using two novel aromaticity approaches. According to the first, the aromaticity of individual benzene rings was gauged by the values of six‐center bond indices (SCI) calculated within the so‐called Gene

Spectroscopic QSAR Methods and Self-Orga

Spectroscopic QSAR Methods and Self-Organizing Molecular Field Analysis for Relating Molecular Structure and Estrogenic Activity.

✍ Arja Asikainen; Juhani Ruuskanen; Kari Tuppurainen 📂 Article 📅 2004 🏛 John Wiley and Sons ⚖ 52 KB

ChemInform Abstract: Molecular Quantum S

ChemInform Abstract: Molecular Quantum Similarity and the Fundamentals of QSAR

✍ Emili Besalu; Xavier Girones; Lluis Amat; Ramon Carbo-Dorca 📂 Article 📅 2010 🏛 John Wiley and Sons ⚖ 24 KB

## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable v