Quantitative structure activity relationship and docking studies of imidazole-based derivatives as P-glycoprotein inhibitors

Quantitative Structure-activity Relationships of Imidazole-containing Farnesyltransferase Inhibitors Using Different Chemometric Methods

(2013) Ali Shayanfar et al.   Medicinal Chemistry

Linear and nonlinear QSAR modeling of 1,3,8-substituted-9-deazaxanthines as potential selective A2BAR antagonists

(2013) Mahboubeh Mansourian et al.   MEDICINAL CHEMISTRY RESEARCH

Quantitative structure–activity relationship prediction of blood-to-brain partitioning behavior using support vector machine

(2012) Hassan Golmohammadi et al.   EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES

QSAR studies of macrocyclic diterpenes with P-glycoprotein inhibitory activity

(2012) Inês J. Sousa et al.   EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES

QSRR modeling for diverse drugs using different feature selection methods coupled with linear and nonlinear regressions

(2012) Mohammad Goodarzi et al.   JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES

Quantitative structure–activity relationships (QSARs) using the novel marine algal toxicity data of phenols

(2012) M. Doğa Ertürk et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Statistically validated QSAR study of some antagonists of the human CCR5 receptor using least square support vector machine based on the genetic algorithm and factor analysis

(2012) Mohsen Shahlaie et al.   MEDICINAL CHEMISTRY RESEARCH

Towards better understanding of feature-selection or reduction techniques for Quantitative Structure–Activity Relationship models

(2012) Mohammad Goodarzi et al.   TRAC-TRENDS IN ANALYTICAL CHEMISTRY

Quantitative Structure-Activity Relationships and Docking Studies of Calcitonin Gene-Related Peptide Antagonists

(2011) Anahita Kyani et al.   Chemical Biology & Drug Design

Further exploring rm2 metrics for validation of QSPR models

(2011) Probir Kumar Ojha et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

P-glycoprotein Inhibition: The Past, the Present and the Future

(2011) Richard A.J. Darby et al.   CURRENT DRUG METABOLISM

Advances in the Replacement and Enhanced Replacement Method in QSAR and QSPR Theories

(2011) Andrew G. Mercader et al.   Journal of Chemical Information and Modeling

Comparative Studies on Some Metrics for External Validation of QSPR Models

(2011) Kunal Roy et al.   Journal of Chemical Information and Modeling

QSAR and pharmacophore studies of telomerase inhibitors

(2011) Atefeh Hajiagha Bozorgi et al.   MEDICINAL CHEMISTRY RESEARCH

Quantitative Correlation of Physical and Chemical Properties with Chemical Structure: Utility for Prediction

(2010) Alan R. Katritzky et al.   CHEMICAL REVIEWS

Two-Dimensional (2D) In Silico Models for Absorption, Distribution, Metabolism, Excretion and Toxicity (ADME/T) in Drug Discovery

(2010) Prashant Kharkar   CURRENT TOPICS IN MEDICINAL CHEMISTRY

3D-QSAR in Drug Design - A Review

(2010) Jitender Verma et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Simultaneous polarographic determination of isoniazid and rifampicin by differential pulse polarography method and support vector regression

(2010) Karim Asadpour-Zeynali et al.   ELECTROCHIMICA ACTA

Support vector machines: Development of QSAR models for predicting anti-HIV-1 activity of TIBO derivatives

(2010) Rachid Darnag et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

QSAR study of carboxylic acid derivatives as HIV-1 Integrase inhibitors

(2010) Zhengjun Cheng et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

QSAR modeling of taxane analogues against colon cancer

(2010) Rajeshwar P. Verma et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

QSAR analysis of diaryl COX-2 inhibitors: Comparison of feature selection and train-test data selection methods

(2010) Somaieh Soltani et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Search for MDR modulators: Design, syntheses and evaluations of N-substituted acridones for interactions with p-glycoprotein and Mg2+

(2009) Palwinder Singh et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Modelling of Cytotoxicity Data (CC50) of Anti-HIV 1-[5-Chlorophenyl) Sulfonyl]-1H-Pyrrole Derivatives Using Calculated Molecular Descriptors and Levenberg-Marquardt Artificial Neural Network

(2009) M. Arab Chamjangali   Chemical Biology & Drug Design

Synthesis of highly functionalized barbituric acids and study of their interactions with p-glycoprotein and Mg2+ – Potential candidates for multi drug resistance modulation

(2009) Palwinder Singh et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Imidazole-containing farnesyltransferase inhibitors: 3D quantitative structure–activity relationships and molecular docking

(2009) Aihua Xie et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

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

Structure of P-Glycoprotein Reveals a Molecular Basis for Poly-Specific Drug Binding

(2009) S. G. Aller et al.   SCIENCE

Enhanced Replacement Method-based Quantitative Structure-Activity Relationship Modeling and Support Vector Machine Classification of 4-Anilino-3-quinolinecarbonitriles as Src Kinase Inhibitors

(2009) Min Sun et al.   Quantitative structure-activity relationships & combinatorial science

Modified and enhanced replacement method for the selection of molecular descriptors in QSAR and QSPR theories

(2008) Andrew G. Mercader et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Topological descriptors in modelling antimalarial activity:N1-(7-chloro-4-quinolyl)-1,4-bis(3-aminopropyl)piperazine as prototype

(2008) Shreekant Deshpande et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

QSAR study of heparanase inhibitors activity using artificial neural networks and Levenberg–Marquardt algorithm

(2007) M. Jalali-Heravi et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY