Search Result "Cerius2"


A New Practice: Study on the Molecular Mechanism of Traditional Chinese Medicine by Computational Pharmacology Methods: Part 1: Pharmacokinetic Modeling and Chemical Space Distribution

Journal: Letters in Drug Design & Discovery
Volume: 8 Issue: 7 Year: 2011 Page: 652-658
Author(s): Ding-Hong Wu, Xiao-Jie Xu

3D-QSAR of Novel Phosphodiesterase-4 Inhibitors by Genetic Function Approximation

Journal: Medicinal Chemistry
Volume: 7 Issue: 6 Year: 2011 Page: 543-552
Author(s): Anand V. Raichurkar, Ujashkumar A. Shah, Vithal M. Kulkarni

Research Article

Prediction of Drug-Plasma Protein Binding Using Artificial Intelligence Based Algorithms

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 21 Issue: 1 Year: 2018 Page: 57-64
Author(s): Rajnish Kumar,Anju Sharma,Mohammed Haris Siddiqui,Rajesh Kumar Tiwari

QSAR Applications on Polycyclic Aromatic Hydrocarbons and Some Derivatives

Journal: Current Organic Chemistry
Volume: 17 Issue: 23 Year: 2013 Page: 2872-2879
Author(s): Matías F. Andrada,Pablo R. Duchowicz,Eduardo A. Castro

Improving Synthetic Efficiency Using the Computational Prediction of Biological Activity

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 9 Issue: 2 Year: 2006 Page: 103-113
Author(s): K. C. Brogle, T. Gund, D. J. Kyle

A QSAR Study of Biphenyl Analogues of 2-Nitroimidazo-[2, 1-b] [1, 3] - oxazines as Antitubercular Agents Using Genetic Function Approximation

Journal: Medicinal Chemistry
Volume: 8 Issue: 4 Year: 2012 Page: 717-726
Author(s): Supratim Ray,Partha Pratim Roy

In Silico Prediction of Hepatotoxicity

Journal: Current Computer-Aided Drug Design
Volume: 5 Issue: 2 Year: 2009 Page: 122-127
Author(s): Ailan Cheng

Interactive Tools for Risk Reduction and Efficiency Improvements in Medicinal Chemistry

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 9 Issue: 2 Year: 2006 Page: 131-145
Author(s): Kevin C. Brogle, Cindy Lin, Paul R. Blake

Synthesis and Antiplasmodial Receptor Independent 4D-QSAR Study in 4-aryl-2-trichloromethylquinazoline Series

Journal: Current Chemical Biology
Volume: 7 Issue: 2 Year: 2013 Page: 139-150
Author(s): Jean-Pierre Reboul,Pierre Verhaeghe,Didier Siri,Anouk Gaudel-Siri,Caroline Castera- Ducros,Aurélien Dumètre,Sébastien Hutter,Nadine Azas,Pascal Rathelot,Patrice Vanelle,Athanassios Iliadis

Recent Advances in ADME Predictions

Ebook: Solubility, Delivery and ADME Problems of Drugs and Drug-Candidates
Volume: 1 Year: 2011
Author(s): Laszlo Molnar,Gyorgy M. Keseru
Doi: 10.2174/978160805120511101010003

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