Search Result "k-Nearest neighbor molecular field analysis"


A 3D-QSAR Study on a Series of Benzimidazole Derivatives Acting as Hepatitis C Virus Inhibitors: Application of kNN-Molecular Field Analysis

Journal: Medicinal Chemistry
Volume: 6 Issue: 2 Year: 2010 Page: 87-90
Author(s): S.P. Gupta, S. Samanta, Vaishali M. Patil

Research Article

Possible Binding Mode Analysis of Pyrazolo-triazole Hybrids as Potential Anticancer Agents through Validated Molecular Docking and 3D-QSAR Modeling Approaches

Journal: Letters in Drug Design & Discovery
Volume: 14 Issue: 5 Year: 2017 Page: 515-527
Author(s): Siekh Abdul Amin,Nilanjan Adhikari,Ram K. Agrawal,Tarun Jha,Shovanlal Gayen

Molecular Field Analysis (MFA) and Other QSAR Techniques in Development of Phosphatase Inhibitors

Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 11 Issue: 1 Year: 2011 Page: 151-163
Author(s): Pramod C. Nair

A QSAR Analysis of 2-phenoxy-N-substituted Acetamide Analogues as Hypoxia-Inducible Factor-1(HIF-1) Inhibitors: A Rational Approach to Anticancer Drug Design

Journal: Medicinal Chemistry
Volume: 8 Issue: 4 Year: 2012 Page: 599-614
Author(s): Malleshappa N. Noolvi,Harun M. Patel,Sarita Kamboj

Structural Insight for Imidazopyridazines as Malarial Kinase PfPK7 Inhibitors Using QSAR Techniques

Journal: Medicinal Chemistry
Volume: 8 Issue: 4 Year: 2012 Page: 636-648
Author(s): Nitendra K. Sahu,D. V. Kohli

Using Machine Learning Methods to Predict Experimental High Throughput Screening Data

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 13 Issue: 5 Year: 2010 Page: 430-441
Author(s): Cherif Mballo, Vladimir Makarenkov

Molecular Similarity and Property Similarity

Journal: Current Topics in Medicinal Chemistry
Volume: 4 Issue: 6 Year: 2004 Page: 589-600
Author(s): Frederique Barbosa, Dragos Horvath

Research Article

3D QSAR Analysis on 2piperidinopiperidinethiadiazole Derivatives as Histamine H3 Receptor Inhibitors

Journal: Current Nanomedicine
Volume: 7 Issue: 1 Year: 2017 Page: 59-66
Author(s): Yogesh Vaishnav,Pranita Kashyap,Chanchal Deep Kaur

Weka Machine Learning for Predicting the Phospholipidosis Inducing Potential

Journal: Current Topics in Medicinal Chemistry
Volume: 8 Issue: 1 Year: 2008 Page: 1691-1709
Author(s): Ovidiu Ivanciuc

QSAR Modeling of Carcinogenic Risk Using Discriminant Analysis and Topological Molecular Descriptors

Journal: Current Drug Discovery Technologies
Volume: 2 Issue: 2 Year: 2005 Page: 55-67
Author(s): Joseph F. Contrera, Philip MacLaughlin, Lowell H. Hall, Lemont B. Kier

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