Introduction of simplex-informational descriptors for QSPR analysis of fullerene derivatives

Quantitative Structure–Property Relationship Modeling of Diverse Materials Properties

(2012) Tu Le et al.   CHEMICAL REVIEWS

Optimization of parameters for semiempirical methods VI: more modifications to the NDDO approximations and re-optimization of parameters

(2012) James J. P. Stewart   JOURNAL OF MOLECULAR MODELING

QSAR analysis of the toxicity of nitroaromatics inTetrahymena pyriformis: structural factors and possible modes of action

(2011) A.G. Artemenko et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

PaDEL-descriptor: An open source software to calculate molecular descriptors and fingerprints

(2010) Chun Wei Yap   JOURNAL OF COMPUTATIONAL CHEMISTRY

Open3DQSAR: a new open-source software aimed at high-throughput chemometric analysis of molecular interaction fields

(2010) Paolo Tosco et al.   JOURNAL OF MOLECULAR MODELING

CORAL: QSPR models for solubility of [C60] and [C70] fullerene derivatives

(2010) Alla P. Toropova et al.   MOLECULAR DIVERSITY

ISIDA Property-Labelled Fragment Descriptors

(2010) Fiorella Ruggiu et al.   Molecular Informatics

A brief review of molecular information theory

(2010) Thomas D. Schneider   Nano Communication Networks

Material Solubility-Photovoltaic Performance Relationship in the Design of Novel Fullerene Derivatives for Bulk Heterojunction Solar Cells

(2009) Pavel A. Troshin et al.   ADVANCED FUNCTIONAL MATERIALS

Solubility of Light Fullerenes in Organic Solvents

(2009) Konstantin N. Semenov et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

New Structural Descriptors of Molecules on the Basis of Symbiosis of the Informational Field Model and Simplex Representation of Molecular Structure

(2009) Lyudmila N. Ognichenko et al.   Quantitative structure-activity relationships & combinatorial science

Quantitative structure–activity relationship studies on nitrofuranyl anti-tubercular agents

(2008) Kirk E. Hevener et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Hierarchical QSAR technology based on the Simplex representation of molecular structure

(2008) V. E. Kuz’min et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN