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Ish: QSPR modeling of octanol/water partition coefficient of antineoplastic agents by balance of correlations

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
David Weininger
Maqola198819 iqtibos
ABI
QSAR modeling of acute toxicity by balance of correlations
Andrey A. Toropov, Bakhtiyor Rasulev, Jerzy Leszczyński
Maqola20089 iqtibos
ABI
SMILES. 3. DEPICT. Graphical depiction of chemical structures
David Weininger
Maqola19908 iqtibos
ABI
LINGO, an Efficient Holographic Text Based Method To Calculate Biophysical Properties and Intermolecular Similarities
David Vidal, Michael Thormann, Miquel Pons
Maqola20057 iqtibos
ABI
QSPR-based estimation of the atmospheric persistence for chloronaphthalene congeners
Tomasz Puzyn, Aleksandra Mostrąg, Noriyuki Suzuki +1
Maqola20086 iqtibos
ABI
New QSPR study for the prediction of aqueous solubility of drug-like compounds
Pablo R. Duchowicz, Alan Talevi, Luis E. Bruno‐Blanch +1
Maqola20085 iqtibos
ABI
Prediction of intrinsic viscosity in polymer–solvent combinations using a QSPR model
Antreas Afantitis, Georgia Melagraki, Haralambos Sarimveis +3
Maqola20065 iqtibos
ABI
A Novel QSAR Model for Evaluating and Predicting the Inhibition Activity of Dipeptidyl Aspartyl Fluoromethylketones
Antreas Afantitis, Georgia Melagraki, Haralambos Sarimveis +3
Maqola20065 iqtibos
ABI
Partial Order Ranking for the aqueous toxicity of aromatic mixtures
Pablo R. Duchowicz, Martín G. Vitale, Eduardo A. Castro
Maqola20074 iqtibos
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
Maqola20084 iqtibos
ABI
Optimal Molecular Descriptors Based on Weighted Path Numbers
Milan Randić, Subhash C. Basak
Maqola19994 iqtibos
ABI
Quantitative structure-activity relationship studies: β-adrenergic blocking activity of 1-(2,4-disubstituted phenoxy)-3-aminopropan-2-ols
VK Gombar, VK Kapoor
Maqola19903 iqtibos
ABI
Quantitative structure–pharmacokinetic relationship modelling
Marie-Odile Fouchécourt, Martin Béliveau, Kannan Krishnan
Maqola20013 iqtibos
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
Maqola20083 iqtibos
ABI
A Novel Search Engine for Virtual Screening of Very Large Databases
David Vidal, Michael Thormann, Miquel Pons
Maqola20063 iqtibos
ABI
The Vertex-Connectivity Index Revisited
Dragan Amić, Drago Bešlo, Bono Lučić +2
Maqola19983 iqtibos
ABI
Semi‐empirical topological index to predict properties of halogenated aliphatic compounds
Anna Celia Silva Arruda, Berenice da Silva Junkes, Érica Silva Souza +2
Maqola20082 iqtibos
ABI
QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES
Andrey A. Toropov, Alla P. Toropova, Ivan Raška
MaqolaComputational Drug Discovery MethodsEuropean Journal of Medicinal Chemistry20071 iqtibos
ABI
Sarlavhasiz
Boshqa1 iqtibos
ABI
Sarlavhasiz
Boshqa1 iqtibos
ABI
Sarlavhasiz
Boshqa1 iqtibos
ABI
Sarlavhasiz
Boshqa1 iqtibos
ABI
Sarlavhasiz
Boshqa1 iqtibos
ABI
QSAR Modeling of Peripheral<i>Versus</i>Central Benzodiazepine Receptor Binding Affinity of 2‐Phenylimidazo[1,2‐a]pyridineacetamides using Optimal Descriptors Calculated with SMILES
Kunal Roy, Andrey A. Toropov, Ivan Raška
MaqolaComputational Drug Discovery MethodsQSAR & Combinatorial Science20061 iqtibos
ABI
Sarlavhasiz
Boshqa1 iqtibos
ABI