Search Result "ADMET models"


Ligand and Structure-Based Pharmacophore Modeling for the Discovery of Potential Human HNMT Inhibitors

Journal: Letters in Drug Design & Discovery
Volume: 9 Issue: 1 Year: 2012 Page: 17-29
Author(s): Pavadai Elumalai, Hsuan-Liang Liu, Zheng-Li Zhou, Jian-Hua Zhao, Wilson Chen, Chih-Kuang Chuang, Wei-Bor Tsai, Yih Ho

QSAR, Docking and ADMET Studies of Artemisinin Derivatives for Antimalarial Activity Targeting Plasmepsin II, a Hemoglobin-Degrading Enzyme from P. falciparum

Journal: Current Pharmaceutical Design
Volume: 18 Issue: 37 Year: 2012 Page: 6133-6154
Author(s): Tabish Qidwai,Dharmendra K. Yadav,Feroz Khan,Sangeeta Dhawan,R. S. Bhakuni

The Challenges Involved in Modeling Toxicity Data In Silico: A Review

Journal: Current Pharmaceutical Design
Volume: 18 Issue: 9 Year: 2012 Page: 1266-1291
Author(s): M. Paul Gleeson, Sandeep Modi, Andreas Bender, Richard L. Marchese Robinson, Johannes Kirchmair, Malinee Promkatkaew, Supa Hannongbua, Robert C. Glen

QSPR in Oral Bioavailability: Specificity or Integrality?

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 12 Issue: 6 Year: 2012 Page: 534-550
Author(s): M. A. Cabrera-Perez,H. Pham-The,M. Bermejo,I. G. Alvarez,M. G. Alvarez,T. M. Garrigues

The Use of the R Language for Medicinal Chemistry Applications

Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 18 Year: 2012 Page: 1957-1964
Author(s): Scot Mente,Max Kuhn

3D MI-DRAGON: New Model for the Reconstruction of US FDA Drug- Target Network and Theoretical-Experimental Studies of Inhibitors of Rasagiline Derivatives for AChE

Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 16 Year: 2012 Page: 1843-1865
Author(s): Francisco Prado-Prado,Xerardo Garcia-Mera,Manuel Escobar,Nerea Alonso,Olga Caamano,Matilde Yanez,Humberto Gonzalez-Diaz

From Laptop to Benchtop to Bedside: Structure-based Drug Design on Protein Targets

Journal: Current Pharmaceutical Design
Volume: 18 Issue: 9 Year: 2012 Page: 1217-1239
Author(s): Lu Chen, John K. Morrow, Hoang T. Tran, Sharangdhar S. Phatak, Lei Du-Cuny, Shuxing Zhang

QSAR Study for Carcinogenicity in a Large Set of Organic Compounds

Journal: Current Drug Safety
Volume: 7 Issue: 4 Year: 2012 Page: 282-288
Author(s): Pablo R. Duchowicz,Nieves C. Comelli,Erlinda V. Ortiz,Eduardo A. Castro

Physiologically Based Pharmacokinetic Models: Integration of In Silico Approaches with Micro Cell Culture Analogues

Journal: Current Drug Metabolism
Volume: 13 Issue: 6 Year: 2012 Page: 863-880
Author(s): A. Chen, M. L. Yarmush, T. Maguire

Quantum Pharmacology for Infectious Diseases: A Molecular Connectivity Approach

Journal: Current Computer-Aided Drug Design
Volume: 8 Issue: 3 Year: 2012 Page: 249-254
Author(s): Shailza Singh

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