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Gas‐to‐ionic liquid partition: QSPR modeling and mechanistic interpretation

Molecular informatics, 2023-06, Vol.42 (6), p.e2200223-n/a

2023

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Toward a uniform description of hydrogen bonds and halogen bonds: correlations of interaction energies with various geometric, electronic and topological parameters

RSC advances, 2017, Vol.7 (17), p.10295-10305

2017

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Ab Initio Study of the Complexes of Halogen-Containing Molecules RX (X=Cl, Br, and I) and NH3: Towards Understanding the Nature of Halogen Bonding and the Electron-Accepting Propensities of Covalently Bonded Halogen Atoms

Chemistry : a European journal, 2005-01, Vol.11 (2), p.740-751

2005

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3D-QSAR and 3D-QSSR studies of thieno[2,3-d] pyrimidin-4-yl hydrazone analogues as CDK4 inhibitors by CoMFA analysis

Acta pharmacologica Sinica, 2014-01, Vol.35 (1), p.151-160

2014

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Prediction of the hydrophobicity of platinum(IV) complexes based on molecular surface properties

Journal of inorganic biochemistry, 2021-04, Vol.217, p.111373-111373, Article 111373

2021

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QSPR study on Hydrophobicity of Pt(II) complexes with surface electrostatic potential-based descriptors

Journal of molecular graphics & modelling, 2022-11, Vol.116, p.108256-108256, Article 108256

2022

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QSPR/QSAR models for prediction of the physico-chemical properties and biological activity of polychlorinated diphenyl ethers (PCDEs)

Chemosphere (Oxford), 2010-07, Vol.80 (6), p.665-670

2010

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Phosphorylation Mechanism of N‑Acetyl‑l‑glutamate Kinase, a QM/MM Study

The journal of physical chemistry. B, 2019-04, Vol.123 (13), p.2844-2852

2019

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Binding Interaction of Gatifloxacin with Bovine Serum Albumin

Analytical Sciences, 2004, Vol.20(3), pp.465-470

2004

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Quantitative Structure-Property Relationship Studies on the Adsorption of Aromatic Contaminants by Carbon Nanotubes

Wuli huaxue xuebao, 2014-09, Vol.30 (9), p.1616-1624

2014

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Predicting Retention and Separation Factors of Chiral Diarylmethane Derivates by QSPR Models

Wuli huaxue xuebao, 2015, Vol.31 (1), p.73-82

2015

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Quantitative structure–hydrophobicity relationships of molecular fragments and beyond

Journal of molecular graphics & modelling, 2016-03, Vol.64, p.110-120

2016

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Prediction of the complexation of structurally diverse compounds with β-cyclodextrin using structural descriptors derived from electrostatic potentials on molecular surface and different chemometric methods

Chemometrics and intelligent laboratory systems, 2013-08, Vol.127, p.166-176

2013

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Quantitative structure–chromatographic retention relationship for polycyclic aromatic sulfur heterocycles

Journal of Chromatography A, 2008-07, Vol.1198, p.202-207

2008

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Gorham-Stout syndrome in mainland China： a case series of 67 patients and review of the literature

Journal of Zhejiang University. B. Science, 2013-08, Vol.14 (8), p.729-735

2013

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Design, Synthesis and Pregnancy-Terminating Activity of 2-Aryl Imidazo[2, 1 -a]isoquinolines

Chinese journal of chemistry, 2004-03, Vol.22 (3), p.315-320

2004

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QSPR/QSAR Studies on the Physicochemical Properties and Biological Activities of Polychlorinated Biphenyls

Wuli huaxue xuebao, 2005-03, Vol.21 (3), p.267-272

2005

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2D and 3D-QSPR Models for the Fluorophilicity of Organic Compounds in Consideration of Chirality

QSAR & combinatorial science, 2009-10, Vol.28 (10), p.1112-1122

2009

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Theoretical Study on the Isomerization Mechanism of Enol Ester from 2-Acyl-1, 3-cyclohexanediones

中国化学快报（英文版）, 2005-05, Vol.16 (5), p.705-708

2005

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Predicting Human Intestinal Absorption from Threedimensional Molecular Structure of Drugs

Wuli huaxue xuebao, 2004-05, Vol.20 (5), p.512-517

2004

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Quantitative Structure-enantioselective Retention Relationships Study of 5-arylhydantoins

Wuli huaxue xuebao, 2003-10, Vol.19 (10), p.938-943

2003

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QSAR Study and VolSurf Characterization of Human Intestinal Absorption of Drugs

Chinese journal of chemistry, 2003-03, Vol.21 (3), p.238-243

2003

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Toward a uniform description of hydrogen bonds and halogen bonds: correlations of interaction energies with various geometric, electronic and topological parametersElectronic supplementary information (ESI) available. See DOI: 10.1039/c6ra27590g

2017-02

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Synthesis and Pregnancy Terminating Activity of 2-Aryl imidazo [2,1-a] isoquinolines

中国化学快报(英文版), 2001-06, Vol.12 (6), p.499-500

2001

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Computer Control Software Design Model Based on Improved PID Algorithm

Applied Mechanics and Materials, 2014-12, Vol.716-717 (Mechanical Engineering and Materials Science), p.1671-1674

2014

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Gas‐to‐ionic liquid partition: QSPR modeling and mechanistic interpretation

Toward a uniform description of hydrogen bonds and halogen bonds: correlations of interaction energies with various geometric, electronic and topological parameters

Ab Initio Study of the Complexes of Halogen-Containing Molecules RX (X=Cl, Br, and I) and NH3: Towards Understanding the Nature of Halogen Bonding and the Electron-Accepting Propensities of Covalently Bonded Halogen Atoms

3D-QSAR and 3D-QSSR studies of thieno[2,3-d] pyrimidin-4-yl hydrazone analogues as CDK4 inhibitors by CoMFA analysis

Prediction of the hydrophobicity of platinum(IV) complexes based on molecular surface properties

QSPR study on Hydrophobicity of Pt(II) complexes with surface electrostatic potential-based descriptors

QSPR/QSAR models for prediction of the physico-chemical properties and biological activity of polychlorinated diphenyl ethers (PCDEs)

Phosphorylation Mechanism of N‑Acetyl‑l‑glutamate Kinase, a QM/MM Study

Binding Interaction of Gatifloxacin with Bovine Serum Albumin

Quantitative Structure-Property Relationship Studies on the Adsorption of Aromatic Contaminants by Carbon Nanotubes

Predicting Retention and Separation Factors of Chiral Diarylmethane Derivates by QSPR Models

Quantitative structure–hydrophobicity relationships of molecular fragments and beyond

Prediction of the complexation of structurally diverse compounds with β-cyclodextrin using structural descriptors derived from electrostatic potentials on molecular surface and different chemometric methods

Quantitative structure–chromatographic retention relationship for polycyclic aromatic sulfur heterocycles

Gorham-Stout syndrome in mainland China： a case series of 67 patients and review of the literature

Design, Synthesis and Pregnancy-Terminating Activity of 2-Aryl Imidazo[2, 1 -a]isoquinolines

QSPR/QSAR Studies on the Physicochemical Properties and Biological Activities of Polychlorinated Biphenyls

2D and 3D-QSPR Models for the Fluorophilicity of Organic Compounds in Consideration of Chirality

Theoretical Study on the Isomerization Mechanism of Enol Ester from 2-Acyl-1, 3-cyclohexanediones

Predicting Human Intestinal Absorption from Threedimensional Molecular Structure of Drugs

Quantitative Structure-enantioselective Retention Relationships Study of 5-arylhydantoins

QSAR Study and VolSurf Characterization of Human Intestinal Absorption of Drugs

Toward a uniform description of hydrogen bonds and halogen bonds: correlations of interaction energies with various geometric, electronic and topological parametersElectronic supplementary information (ESI) available. See DOI: 10.1039/c6ra27590g

Synthesis and Pregnancy Terminating Activity of 2-Aryl imidazo [2,1-a] isoquinolines

Computer Control Software Design Model Based on Improved PID Algorithm

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