Search Result "structural descriptors"


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

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

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

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):

A Quantitative Structure-Activity Relationship Study on a Series of Selective Non-zinc Binding Inhibitors of MMP13

Journal: Medicinal Chemistry
Volume: 10 Issue: 2 Year: 2014 Page: 174-188
Author(s): Prithvi Singh

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

A Review on Principles, Theory and Practices of 2D-QSAR

Journal: Current Drug Metabolism
Volume: 15 Issue: 4 Year: 2014 Page: 346-379
Author(s): Kunal Roy,Rudra Narayan Das

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

Quantitative Structure-Retention Relationships Studies of Selected Groups of Compounds Characterized by Different Pharmacological Activity Using Multiple Linear Regression Procedure

Journal: Letters in Drug Design & Discovery
Volume: 11 Issue: 8 Year: 2014 Page: 1017-1039
Author(s): Jolanta Stasiak,Marcin Koba,Tomasz Baczek

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