Literature DB >> 10761119

The characterization of chemical structures using molecular properties. A survey

.   

Abstract

Year:  2000        PMID： 10761119     DOI： 10.1021/ci990162i

Source DB:  PubMed          Journal:  J Chem Inf Comput Sci        ISSN： 0095-2338


× No keyword cloud information.
  16 in total

1.  Simultaneous prediction of aqueous solubility and octanol/water partition coefficient based on descriptors derived from molecular structure.

Authors:  D J Livingstone; M G Ford; J J Huuskonen; D W Salt
Journal:  J Comput Aided Mol Des       Date:  2001-08       Impact factor: 3.686

2.  Theoretical descriptors for the quantitative rationalisation of plastocyanin mutant functional propertiess.

Authors:  F De Rienzo; G H Grant; M C Menziani
Journal:  J Comput Aided Mol Des       Date:  2002-07       Impact factor: 3.686

3.  An automated PLS search for biologically relevant QSAR descriptors.

Authors:  Marius Olah; Cristian Bologa; Tudor I Oprea
Journal:  J Comput Aided Mol Des       Date:  2004 Jul-Sep       Impact factor: 3.686

4.  Chemometric analysis of ligand receptor complementarity: identifying Complementary Ligands Based on Receptor Information (CoLiBRI).

Authors:  Scott Oloff; Shuxing Zhang; Nagamani Sukumar; Curt Breneman; Alexander Tropsha
Journal:  J Chem Inf Model       Date:  2006 Mar-Apr       Impact factor: 4.956

5.  Industrial applications of in silico ADMET.

Authors:  Bernd Beck; Tim Geppert
Journal:  J Mol Model       Date:  2014-06-28       Impact factor: 1.810

6.  QSAR Methods.

Authors:  Giuseppina Gini
Journal:  Methods Mol Biol       Date:  2022

7.  Quantitative structure-activity relationships (QSARs) within the cytochrome P450 system: QSARs describing substrate binding, inhibition and induction of P450s.

Authors:  David F V Lewis
Journal:  Inflammopharmacology       Date:  2003       Impact factor: 4.473

8.  The Whole Is Bigger than the Sum of Its Parts: Drug Transport in the Context of Two Membranes with Active Efflux.

Authors:  Valentin V Rybenkov; Helen I Zgurskaya; Chhandosee Ganguly; Inga V Leus; Zhen Zhang; Mohammad Moniruzzaman
Journal:  Chem Rev       Date:  2021-02-17       Impact factor: 60.622

9.  Drug-drug relationship based on target information: application to drug target identification.

Authors:  Keunwan Park; Dongsup Kim
Journal:  BMC Syst Biol       Date:  2011-12-14

Review 10.  Methods for reliability and uncertainty assessment and for applicability evaluations of classification- and regression-based QSARs.

Authors:  Lennart Eriksson; Joanna Jaworska; Andrew P Worth; Mark T D Cronin; Robert M McDowell; Paola Gramatica
Journal:  Environ Health Perspect       Date:  2003-08       Impact factor: 9.031
View more

北京卡尤迪生物科技股份有限公司 © 2022-2023.