Search Result "molecular descriptors and metabolism."


Understanding the Molecular Properties and Metabolism of Top Prescribed Drugs

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 11 Year: 2013 Page: 1290-1307
Author(s): Haizhen A. Zhong,Victoria Mashinson,Theodor A. Woolman,Mengyi Zha

Bridging Chemical and Biological Space: QSAR Probing Using 3D Molecular Descriptors

Ebook: Recent Trends on QSAR in the Pharmaceutical Perceptions
Volume: 1 Year: 2012
Author(s): M. Natália D.S. Cordeiro,Fernanda Borges,Aliuska Morales Helguera
Doi: 10.2174/978160805379711201010119

How the Parts Organize in the Whole? A Top-Down View of Molecular Descriptors and Properties for QSAR and Drug Design

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 8 Issue: 3 Year: 2008 Page: 213-221
Author(s): Ernesto Estrada

Research Article

MCDCalc: Markov Chain Molecular Descriptors Calculator for Medicinal Chemistry

Journal: Current Topics in Medicinal Chemistry
Volume: 20 Issue: 4 Year: 2020 Page: 305-317
Author(s): Paula Carracedo-Reboredo,Ramiro Corona,Mikel Martinez-Nunes,Carlos Fernandez-Lozano,Georgia Tsiliki,Haralambos Sarimveis,Eider Aranzamendi,Sonia Arrasate,Nuria Sotomayor,Esther Lete,Cristian Robert Munteanu,Humbert González-Díaz

Influence of HPLC Retention Data and Molecular Modeling Descriptors on Prediction of Pharmacological Classification of Drugs Using Principal Component Analysis Method

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 13 Issue: 9 Year: 2010 Page: 765-776
Author(s): Marcin Koba, Leszek Bober, Urszula Judycka-Proma, Tomasz Baczek

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

Review Article

CORAL Software: Analysis of Impacts of Pharmaceutical Agents Upon Metabolism via the Optimal Descriptors

Journal: Current Drug Metabolism
Volume: 18 Issue: 6 Year: 2017 Page: 500-510
Author(s): Mariya A. Toropova,Ivan Raska Jr,Alla P. Toporova,Maria Raskova

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

The WWW as a Tool to Obtain Molecular Parameters

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 3 Issue: 8 Year: 2003 Page: 809-820
Author(s): Igor V. Tetko

Review Article

Toward Computational Understanding of Molecular Recognition in the Human Metabolizing Cytochrome P450s

Journal: Current Medicinal Chemistry
Volume: 25 Issue: 28 Year: 2018 Page: 3353-3373
Author(s): Maria Kontoyianni,Brett Lacy

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