Работы, на которые ссылается эта работа

Работ: 43

Работа: QSAR-modeling of toxicity of organometallic compounds by means of the balance of correlations for InChI-based optimal descriptors

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
David Weininger
Статья1988Цитирований: 19
ABI
QSAR modeling of acute toxicity by balance of correlations
Andrey A. Toropov, Bakhtiyor Rasulev, Jerzy Leszczyński
Статья2008Цитирований: 9
ABI
Modeling of acyclic carbonyl compounds normal boiling points by correlation weighting of nearest neighboring codes
Andrey A. Toropov, Alla P. Toropova
Статья2002Цитирований: 9
ABI
SMILES. 3. DEPICT. Graphical depiction of chemical structures
David Weininger
Статья1990Цитирований: 8
ABI
Prediction of heteroaromatic amine mutagenicity by means of correlation weighting of atomic orbital graphs of local invariants
Andrey A. Toropov, Alla P. Toropova
Статья2001Цитирований: 8
ABI
LINGO, an Efficient Holographic Text Based Method To Calculate Biophysical Properties and Intermolecular Similarities
David Vidal, Michael Thormann, Miquel Pons
Статья2005Цитирований: 7
ABI
SMILES. 2. Algorithm for generation of unique SMILES notation
David Weininger, Arthur Weininger, J. L. Weininger
Статья1989Цитирований: 7
ABI
QSPR-based estimation of the atmospheric persistence for chloronaphthalene congeners
Tomasz Puzyn, Aleksandra Mostrąg, Noriyuki Suzuki +1
Статья2008Цитирований: 6
ABI
QSAR modeling of toxicity on optimization of correlation weights of Morgan extended connectivity
Andrey A. Toropov, Alla P. Toropova
Статья2002Цитирований: 6
ABI
New QSPR study for the prediction of aqueous solubility of drug-like compounds
Pablo R. Duchowicz, Alan Talevi, Luis E. Bruno‐Blanch +1
Статья2008Цитирований: 5
ABI
Prediction of intrinsic viscosity in polymer–solvent combinations using a QSPR model
Antreas Afantitis, Georgia Melagraki, Haralambos Sarimveis +3
Статья2006Цитирований: 5
ABI
A Novel QSAR Model for Evaluating and Predicting the Inhibition Activity of Dipeptidyl Aspartyl Fluoromethylketones
Antreas Afantitis, Georgia Melagraki, Haralambos Sarimveis +3
Статья2006Цитирований: 5
ABI
Partial Order Ranking for the aqueous toxicity of aromatic mixtures
Pablo R. Duchowicz, Martín G. Vitale, Eduardo A. Castro
Статья2007Цитирований: 4
ABI
3D-chiral (2.5) atom-based TOMOCOMD-CARDD descriptors: theory and QSAR applications to central chirality codification
Yovani Marrero‐Ponce, Juan A. Castillo‐Garit, Eduardo A. Castro +2
Статья2008Цитирований: 4
ABI
Simplified molecular input line entry system (SMILES) as an alternative for constructing quantitative structure-property relationships (QSPR)
Andrey A. Toropov, Alla P. Toropova, Dilya V. Mukhamedzhanova +1
СтатьяComputational Drug Discovery MethodsINDIAN JOURNAL OF CHEMISTRY- SECTION A2005Цитирований: 3
ABI
SMILES in QSPR/QSAR Modeling: Results and Perspectives
Andrey A. Toropov, Emilio Benfenati
СтатьяComputational Drug Discovery MethodsCurrent Drug Discovery Technologies2007Цитирований: 3
ABI
QSAR modeling for lipid peroxidation inhibition potential of flavonoids using topological and structural parameters
Supratim Ray, Chandana Sengupta, Kunal Roy
Статья2008Цитирований: 3
ABI
QSTR with Extended Topochemical Atom Indices. 10. Modeling of Toxicity of Organic Chemicals to Humans Using Different Chemometric Tools
Kunal Roy, Gopinath Ghosh
Статья2008Цитирований: 3
ABI
Quantitative structure-activity relationship studies: β-adrenergic blocking activity of 1-(2,4-disubstituted phenoxy)-3-aminopropan-2-ols
VK Gombar, VK Kapoor
Статья1990Цитирований: 3
ABI
Quantitative structure–pharmacokinetic relationship modelling
Marie-Odile Fouchécourt, Martin Béliveau, Kannan Krishnan
Статья2001Цитирований: 3
ABI
The effects of characteristics of substituents on toxicity of the nitroaromatics: HiT QSAR study
V. Е. Kuz’min, Eugene Muratov, A. G. Artemenko +3
Статья2008Цитирований: 3
ABI
Optimisation of correlation weights of SMILES invariants for modelling oral quail toxicity
Andrey A. Toropov, Emilio Benfenati
Статья2006Цитирований: 3
ABI
QSAR modelling of aldehyde toxicity against a protozoan, Tetrahymena pyriformis by optimization of correlation weights of nearest neighboring codes
Andrey A. Toropov, Emilio Benfenati
Статья2004Цитирований: 3
ABI
A Novel Search Engine for Virtual Screening of Very Large Databases
David Vidal, Michael Thormann, Miquel Pons
Статья2006Цитирований: 3
ABI
QSAR modelling of aldehyde toxicity by means of optimisation of correlation weights of nearest neighbouring codes
Andrey A. Toropov, Emilio Benfenati
Статья2004Цитирований: 3
ABI