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Иш: 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
Мақола198819 иқтибос
ABI
QSAR modeling of acute toxicity by balance of correlations
Andrey A. Toropov, Bakhtiyor Rasulev, Jerzy Leszczyński
Мақола20089 иқтибос
ABI
SMILES. 3. DEPICT. Graphical depiction of chemical structures
David Weininger
Мақола19908 иқтибос
ABI
LINGO, an Efficient Holographic Text Based Method To Calculate Biophysical Properties and Intermolecular Similarities
David Vidal, Michael Thormann, Miquel Pons
Мақола20057 иқтибос
ABI
QSPR-based estimation of the atmospheric persistence for chloronaphthalene congeners
Tomasz Puzyn, Aleksandra Mostrąg, Noriyuki Suzuki +1
Мақола20086 иқтибос
ABI
New QSPR study for the prediction of aqueous solubility of drug-like compounds
Pablo R. Duchowicz, Alan Talevi, Luis E. Bruno‐Blanch +1
Мақола20085 иқтибос
ABI
Prediction of intrinsic viscosity in polymer–solvent combinations using a QSPR model
Antreas Afantitis, Georgia Melagraki, Haralambos Sarimveis +3
Мақола20065 иқтибос
ABI
A Novel QSAR Model for Evaluating and Predicting the Inhibition Activity of Dipeptidyl Aspartyl Fluoromethylketones
Antreas Afantitis, Georgia Melagraki, Haralambos Sarimveis +3
Мақола20065 иқтибос
ABI
Partial Order Ranking for the aqueous toxicity of aromatic mixtures
Pablo R. Duchowicz, Martín G. Vitale, Eduardo A. Castro
Мақола20074 иқтибос
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
Мақола20084 иқтибос
ABI
Optimal Molecular Descriptors Based on Weighted Path Numbers
Milan Randić, Subhash C. Basak
Мақола19994 иқтибос
ABI
Quantitative structure-activity relationship studies: β-adrenergic blocking activity of 1-(2,4-disubstituted phenoxy)-3-aminopropan-2-ols
VK Gombar, VK Kapoor
Мақола19903 иқтибос
ABI
Quantitative structure–pharmacokinetic relationship modelling
Marie-Odile Fouchécourt, Martin Béliveau, Kannan Krishnan
Мақола20013 иқтибос
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
Мақола20083 иқтибос
ABI
A Novel Search Engine for Virtual Screening of Very Large Databases
David Vidal, Michael Thormann, Miquel Pons
Мақола20063 иқтибос
ABI
The Vertex-Connectivity Index Revisited
Dragan Amić, Drago Bešlo, Bono Lučić +2
Мақола19983 иқтибос
ABI
Semi‐empirical topological index to predict properties of halogenated aliphatic compounds
Anna Celia Silva Arruda, Berenice da Silva Junkes, Érica Silva Souza +2
Мақола20082 иқтибос
ABI
QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES
Andrey A. Toropov, Alla P. Toropova, Ivan Raška
МақолаComputational Drug Discovery MethodsEuropean Journal of Medicinal Chemistry20071 иқтибос
ABI
Сарлавҳасиз
Бошқа1 иқтибос
ABI
Сарлавҳасиз
Бошқа1 иқтибос
ABI
Сарлавҳасиз
Бошқа1 иқтибос
ABI
Сарлавҳасиз
Бошқа1 иқтибос
ABI
Сарлавҳасиз
Бошқа1 иқтибос
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
МақолаComputational Drug Discovery MethodsQSAR & Combinatorial Science20061 иқтибос
ABI
Сарлавҳасиз
Бошқа1 иқтибос
ABI