Random Forest Approach to QSPR Study of Fluorescence Properties Combining Quantum Chemical Descriptors and Solvent Conditions

Machine Learning Methods to Predict Density Functional Theory B3LYP Energies of HOMO and LUMO Orbitals

(2016) Florbela Pereira et al.   Journal of Chemical Information and Modeling

Quantitative structure-property relationship model leading to virtual screening of fullerene derivatives: Exploring structural attributes critical for photoconversion efficiency of polymer solar cell acceptors

(2016) Supratik Kar et al.   Nano Energy

A quantitative structure-property relationship study of the photovoltaic performance of phenothiazine dyes

(2015) Vishwesh Venkatraman et al.   DYES AND PIGMENTS

A new “donor-two-acceptor” red emission fluorescent probe for highly selective and sensitive detection of cyanide in living cells

(2015) Yongkang Yue et al.   SENSORS AND ACTUATORS B-CHEMICAL

Fluorescent Sensors for Measuring Metal Ions in Living Systems

(2014) Kyle P. Carter et al.   CHEMICAL REVIEWS

Toxicity of ionic liquids: Database and prediction via quantitative structure–activity relationship method

(2014) Yongsheng Zhao et al.   JOURNAL OF HAZARDOUS MATERIALS

Recent progress in the development of near-infrared fluorescent probes for bioimaging applications

(2013) Zhiqian Guo et al.   CHEMICAL SOCIETY REVIEWS

Highlighting and trying to overcome a serious drawback with qspr studies; data collection in different experimental conditions (mixed-QSPR)

(2012) Abolghasem Beheshti et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

What is Solvatochromism?

(2010) Alberto Marini et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Fluorene Analogues of Prodan with Superior Fluorescence Brightness and Solvatochromism

(2010) Oleksandr A. Kucherak et al.   Journal of Physical Chemistry Letters

Modeling the Relative Fluorescence Intensity Ratio of Eu(III) Complex in Different Solvents Based on QSPR Method

(2008) Jie Xu et al.   JOURNAL OF FLUORESCENCE

Modeling the excitation wavelengths (λex) of boronic acids

(2008) Minyong Li et al.   JOURNAL OF MOLECULAR MODELING

TD-DFT Performance for the Visible Absorption Spectra of Organic Dyes:  Conventional versus Long-Range Hybrids

(2007) Denis Jacquemin et al.   Journal of Chemical Theory and Computation