Search Result "molecular descriptors"


Virtual Screening and Molecular Descriptor Analysis on Dietary Phytochemicals Against Heat Shock Protein 90 Enzyme

Journal: Letters in Drug Design & Discovery
Volume: 11 Issue: 1 Year: 2014 Page: 40-49
Author(s): Salam Pradeep Singh,Bolin Kumar Konwar

A Survey of Molecular Descriptors Used in Mass Spectrometry Based Proteomics

Journal: Current Topics in Medicinal Chemistry
Volume: 14 Issue: 3 Year: 2014 Page: 388-397
Author(s):

Lacosamide Derivatives with Anticonvulsant Activity as Carbonic Anhydrase Inhibitors. Molecular Modeling, Docking and QSAR Analysis

Journal: Current Computer-Aided Drug Design
Volume: 10 Issue: 2 Year: 2014 Page: 160-167
Author(s): Juan C. Garro Martinez,Esteban G. Vega-Hissi,Matias F. Andrada,Pablo R. Duchowicz,Francisco Torrens,Mario R. Estrada

Molecular Structural Characteristics Important in Drug-HSA Binding

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 17 Issue: 10 Year: 2014 Page: 879-890
Author(s): Snezana Agatonovic-Kustrin,David W. Morton,Lisa Truong,Slavica Razic

Detour Cum Distance Matrix Based Topological Descriptors for QSAR/QSPR Part-I: Development and Evaluation

Journal: Letters in Drug Design & Discovery
Volume: 11 Issue: 7 Year: 2014 Page: 844-863
Author(s): Monika Gupta, Harish Jangra, Prasad V. Bharatam, Anil K. Madan

A Combined Cheminformatics and Computational Approach for the Prediction of Anti-HIV Small Molecules

Journal: Current Computer-Aided Drug Design
Volume: 10 Issue: 4 Year: 2014 Page: 349-353
Author(s): Naghmeh Poorinmohammad,Hassan Mohabatkar

Integrative Approaches for Predicting In Vivo Effects of Chemicals from their Structural Descriptors and the Results of Short-Term Biological Assays

Journal: Current Topics in Medicinal Chemistry
Volume: 14 Issue: 11 Year: 2014 Page: 1356-1364
Author(s): Yen Sia Low,Alexander Yeugenyevich Sedykh,Ivan Rusyn,Alexander Tropsha

Classification of Aurora B Kinase Inhibitors Using Computational Models

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 17 Issue: 2 Year: 2014 Page: 114-123
Author(s): Ruizi Liu,Xianglei Nie,Min Zhong,Xiaoli Hou,Shouyi Xuan,Aixia Yan

Detour Cum Distance Matrix Based Topological Descriptors for QSAR/QSPR Part-II: Application in Drug Discovery Process

Journal: Letters in Drug Design & Discovery
Volume: 11 Issue: 7 Year: 2014 Page: 864-876
Author(s): Monika Gupta, Anil K. Madan

ANN and Bayesian Classification Models for Virtual Screening of Endocrine-Disrupting Chemicals

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 17 Issue: 5 Year: 2014 Page: 407-416
Author(s): Piotr Nowicki,Jolanta Klos,Zenon Kokot

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