AconitumandDelphiniumDiterpenoid Alkaloids of Local Anesthetic Activity: Comparative QSAR Analysis Based on GA-MLRA/PLS and Optimal Descriptors Approach

Receptor- and ligand-based study of fullerene analogues: comprehensive computational approach including quantum-chemical, QSAR and molecular docking simulations

(2013) Lucky Ahmed et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Aconitum and Delphinium alkaloids of curare-like activity. QSAR analysis and molecular docking of alkaloids into AChBP

(2010) M.A. Turabekova et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

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

(2010) Andrey A. Toropov et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

QSAR modeling of acute toxicity on mammals caused by aromatic compounds: the case study using oral LD50 for rats

(2010) Bakhtiyor Rasulev et al.   JOURNAL OF ENVIRONMENTAL MONITORING

Additive SMILES-Based Carcinogenicity Models: Probabilistic Principles in the Search for Robust Predictions

(2009) Andrey Toropov et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

QSAR modelling of carcinogenicity by balance of correlations

(2009) A. A. Toropov et al.   MOLECULAR DIVERSITY

Sodium channel blockers for the treatment of neuropathic pain

(2009) Anindya Bhattacharya et al.   Neurotherapeutics

How not to develop a quantitative structure–activity or structure–property relationship (QSAR/QSPR)

(2009) J.C. Dearden et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

QSAR modeling of acute toxicity by balance of correlations

(2008) Andrey A. Toropov et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Multiplicative SMILES-based optimal descriptors: QSPR modeling of fullerene C60 solubility in organic solvents

(2008) Andrey A. Toropov et al.   CHEMICAL PHYSICS LETTERS

QSPR modeling for enthalpies of formation of organometallic compounds by means of SMILES-based optimal descriptors

(2008) A.A. Toropov et al.   CHEMICAL PHYSICS LETTERS

Evaluation of the local anaesthetic activity of 3-aminobenzo[d]isothiazole derivatives using the rat sciatic nerve model

(2008) Athina Geronikaki et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Access and Binding of Local Anesthetics in the Closed Sodium Channel

(2008) I. Bruhova et al.   MOLECULAR PHARMACOLOGY

Aconitum and Delphinium sp. alkaloids as antagonist modulators of voltage-gated Na+ channels

(2007) Malakhat A. Turabekova et al.   COMPUTATIONAL BIOLOGY AND CHEMISTRY

Aconitum and Delphinium alkaloids

(2007) Malakhat A. Turabekova et al.   ENVIRONMENTAL TOXICOLOGY AND PHARMACOLOGY