Literature DB >> 11749329

From molecular connectivity indices to semiempirical connectivity terms: recent trends in graph theoretical descriptors.

L Pogliani1.   

Abstract

Year:  2000        PMID: 11749329     DOI: 10.1021/cr0004456

Source DB:  PubMed          Journal:  Chem Rev        ISSN: 0009-2665            Impact factor:   60.622


× No keyword cloud information.
  9 in total

1.  Prediction of glass transition temperatures of OLED materials using topological indices.

Authors:  Jie Xu; Biao Chen
Journal:  J Mol Model       Date:  2005-08-16       Impact factor: 1.810

2.  Can topological indices transmit information on properties but not on structures?

Authors:  Alexandru T Balaban
Journal:  J Comput Aided Mol Des       Date:  2005-11-23       Impact factor: 3.686

3.  True prediction of lowest observed adverse effect levels.

Authors:  R García-Domenech; J V de Julián-Ortiz; E Besalú
Journal:  Mol Divers       Date:  2006-05-24       Impact factor: 2.943

4.  Application of molecular topology to the prediction of mosquito repellents of a group of terpenoid compounds.

Authors:  R García-Domenech; J Aguilera; A El Moncef; S Pocovi; Jorge Gálvez
Journal:  Mol Divers       Date:  2009-07-04       Impact factor: 2.943

Review 5.  Trends in information theory-based chemical structure codification.

Authors:  Stephen J Barigye; Yovani Marrero-Ponce; Facundo Pérez-Giménez; Danail Bonchev
Journal:  Mol Divers       Date:  2014-04-05       Impact factor: 2.943

6.  Two new atom centered fragment descriptors and scoring function enhance classification of antibacterial activity.

Authors:  Durga Datta Kandel; Chandan Raychaudhury; Debnath Pal
Journal:  J Mol Model       Date:  2014-03-25       Impact factor: 1.810

7.  KRAKENX: software for the generation of alignment-independent 3D descriptors.

Authors:  Vishwesh Venkatraman; Bjørn Kåre Alsberg
Journal:  J Mol Model       Date:  2016-03-29       Impact factor: 1.810

8.  Using variable and fixed topological indices for the prediction of reaction rate constants of volatile unsaturated hydrocarbons with OH radicals.

Authors:  Matevz Pompe; Marjan Veber; Milan Randić; Alexandru T Balaban
Journal:  Molecules       Date:  2004-12-31       Impact factor: 4.411

9.  Estimation of Anti-HIV Activity of HEPT Analogues Using MLR, ANN, and SVM Techniques.

Authors:  Basheerulla Shaik; Tabassum Zafar; Vijay K Agrawal
Journal:  Int J Med Chem       Date:  2013-12-30
  9 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.