Contents

Current Topics in Medicinal Chemistry, Volume 3 - Number 11

Preface ( Hot Topics: ADMET / Tox Informatics: Adding Innovation to Structure-Based Drug Design Guest Editor: Roberta Bursi ).

, 3(11): ii

Roberta Bursi


DOI: 10.2174/15680266103030100ii




Predicting Passive Transport In Silico - History, Hype, Hope

, 3(11): 1193 - 1203

David E. Clark and Peter D.J. Grootenhuis


DOI: 10.2174/1568026033451970




Role of ADME Characteristics in Drug Discovery and Their In Silico Evaluation: In Silico Screening of Chemicals for their Metabolic Stability

, 3(11): 1205 - 1225

Vijay K. Gombar, Ivin S. Silver and Zhiyang Zhao


DOI: 10.2174/1568026033452014




Prediction of Drug Metabolism: The Case of Cytochrome P450 2D6

, 3(11): 1227 - 1239

Nico P.E. Vermeulen


DOI: 10.2174/1568026033451998




Modeling Biotransformation Reactions by Combined Quantum Mechanical / Molecular Mechanical Approaches: From Structure to Activity

, 3(11): 1241 - 1256

Lars Ridder and Adrian J. Mulholland


DOI: 10.2174/1568026033452005




Progress in Simulation Modelling for Pharmacokinetics

, 3(11): 1257 - 1268

David E. Leahy


DOI: 10.2174/1568026033451961




Molecular Design and Bioavailability

, 3(11): 1269 - 1288

Robert D. Clark and Philippa R.N. Wolohan


DOI: 10.2174/1568026033451952




Designing Safer Drugs: (Q)SAR-Based Identification of Mutagens and Carcinogens

, 3(11): 1289 - 1300

Romualdo Benigni and Romano Zito


DOI: 10.2174/1568026033452023




Progress in Toxinformatics: The Challenge of Predicting Acute Toxicity

, 3(11): 1301 - 1314

Donatas Zmuidinavicius, Pranas Japertas, Alanas Petrauskas and Remigijus Didziapetris


DOI: 10.2174/1568026033451989




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