Literature DB >> 18302420

Some new trends in chemical graph theory.

Ramón García-Domenech1, Jorge Galvez, Jesus V de Julian-Ortiz, Lionello Pogliani.   

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Year:  2008        PMID： 18302420     DOI： 10.1021/cr0780006

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


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  27 in total

1.  QSAR modeling: where have you been? Where are you going to?

Authors:  Artem Cherkasov; Eugene N Muratov; Denis Fourches; Alexandre Varnek; Igor I Baskin; Mark Cronin; John Dearden; Paola Gramatica; Yvonne C Martin; Roberto Todeschini; Viviana Consonni; Victor E Kuz'min; Richard Cramer; Romualdo Benigni; Chihae Yang; James Rathman; Lothar Terfloth; Johann Gasteiger; Ann Richard; Alexander Tropsha
Journal:  J Med Chem       Date:  2014-01-06       Impact factor: 7.446

2.  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

3.  On the interpretation and interpretability of quantitative structure-activity relationship models.

Authors:  Rajarshi Guha
Journal:  J Comput Aided Mol Des       Date:  2008-09-11       Impact factor: 3.686

Review 4.  A review on molecular topology: applying graph theory to drug discovery and design.

Authors:  José María Amigó; Jorge Gálvez; Vincent M Villar
Journal:  Naturwissenschaften       Date:  2009-06-10

5.  Mesoscale molecular network formation in amorphous organic materials.

Authors:  Brett M Savoie; Kevin L Kohlstedt; Nicholas E Jackson; Lin X Chen; Monica Olvera de la Cruz; George C Schatz; Tobin J Marks; Mark A Ratner
Journal:  Proc Natl Acad Sci U S A       Date:  2014-06-30       Impact factor: 11.205

Review 6.  Structure and dynamics of molecular networks: a novel paradigm of drug discovery: a comprehensive review.

Authors:  Peter Csermely; Tamás Korcsmáros; Huba J M Kiss; Gábor London; Ruth Nussinov
Journal:  Pharmacol Ther       Date:  2013-02-04       Impact factor: 12.310

Review 7.  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

8.  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

9.  Predicting antiprotozoal activity of benzyl phenyl ether diamine derivatives through QSAR multi-target and molecular topology.

Authors:  Ramon Garcia-Domenech; Riccardo Zanni; Maria Galvez-Llompart; Jorge Galvez
Journal:  Mol Divers       Date:  2015-03-10       Impact factor: 2.943

Review 10.  Machine learning in chemoinformatics and drug discovery.

Authors:  Yu-Chen Lo; Stefano E Rensi; Wen Torng; Russ B Altman
Journal:  Drug Discov Today       Date:  2018-05-08       Impact factor: 7.851
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