Search Result "geometrical descriptor"


Molecular Design and QSARs/QSPRs with Molecular Descriptors Family

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 2 Year: 2013 Page: 195-205
Author(s): Sorana D. Bolboaca,Lorentz Jantschi,Mircea V. Diudea

Review Article

Role of Topological, Electronic, Geometrical, Constitutional and Quantum Chemical Based Descriptors in QSAR: mPGES-1 as a Case Study

Journal: Current Topics in Medicinal Chemistry
Volume: 18 Issue: 1 Year: 2018 Page: 1075-1090
Author(s): Ashish Gupta,Virender Kumar,Polamarasetty Aparoy

QSAR of Chalcones Utilizing Theoretical Molecular Descriptors

Journal: Current Computer-Aided Drug Design
Volume: 11 Issue: 2 Year: 2015 Page: 184-193
Author(s): Sisir Nandi,Manish C. Bagchi

Research Article

Linear Bezier Curve Geometrical Feature Descriptor for Image Recognition

Journal: Recent Advances in Computer Science and Communications
Volume: 13 Issue: 5 Year: 2020 Page: 930-941
Author(s): Sandeep D. Pande,Manna S.R. Chetty

Multivariate QSAR: From Classical Descriptors to New Perspectives

Journal: Current Computer-Aided Drug Design
Volume: 3 Issue: 4 Year: 2007 Page: 235-239
Author(s): Matheus P. Freitas

Structural Similarity and Descriptor Spaces for Clustering and Development of QSAR Models§

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 2 Year: 2013 Page: 254-271
Author(s): Irene Luque Ruiz,Gonzalo Cerruela Garcia,Miguel Angel Gomez-Nieto

Study of drug-drug combinations based on molecular descriptors and physicochemical properties

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 2 Year: 2016 Page: 153-160
Author(s): Bing Niu,Zhihao Xing,Manman Zhao,Haizhong Huo,Guohua Huang,Fuxue Chen,Qiang Su,Yin Lu,Meng Wang,Jing Yang,Lei Chen,Ling Tang,Linfeng Zheng

SVM Prediction of Ligand-binding Sites in Bacterial Lipoproteins Employing Shape and Physio-chemical Descriptors

Journal: Protein & Peptide Letters
Volume: 19 Issue: 11 Year: 2012 Page: 1155-1162
Author(s): Kiran Kadam,Prashant Prabhakar,V. K. Jayaraman

A QSAR Study of HIV Protease Inhibitors Using Theoretical Descriptors

Journal: Current Computer-Aided Drug Design
Volume: 6 Issue: 4 Year: 2010 Page: 269-282
Author(s): Subhash C. Basak, Denise Mills, Rajni Garg, Barun Bhhatarai

Research Article

Degree Descriptors and Graph Entropy Quantities of Zeolite ACO

Journal: Current Organic Synthesis
Volume: 21 Issue: 3 Year: 2024 Page: 263-273
Author(s):

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