QSAR Study and Molecular Design of Open-Chain Enaminones as Anticonvulsant Agents

InChI-based optimal descriptors: QSAR analysis of fullerene[C60]-based HIV-1 PR inhibitors by correlation balance

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

Simplified Molecular Input Line Entry System-Based Optimal Descriptors: Quantitative Structure-Activity Relationship Modeling Mutagenicity of Nitrated Polycyclic Aromatic Hydrocarbons

(2009) Andrey A. Toropov et al.   Chemical Biology & Drug Design

Köln-Timişoara Molecular Activity Combined Models toward Interspecies Toxicity Assessment

(2009) Sergiu Chicu et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Anticonvulsant Activity of Ringed Enaminones: A QSAR Study

(2009) Juan C. Garro Martinez et al.   Quantitative structure-activity relationships & combinatorial science

Additive SMILES-based optimal descriptors in QSAR modelling bee toxicity: Using rare SMILES attributes to define the applicability domain

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

The importance of the domain of applicability in QSAR modeling

(2008) Shane Weaver et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Prediction of aqueous toxicity for heterogeneous phenol derivatives by QSAR

(2007) Pablo R. Duchowicz et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS