Search Result "ADMET score"


Simultaneous Modeling of Antimycobacterial Activities and ADMET Profiles: A Chemoinformatic Approach to Medicinal Chemistry

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 1 Year: 2013 Page: 1656-1665
Author(s): Alejandro Speck-Planche, M. N.D.S. Cordeiro

Further Insights in 5-phenyl-2-[2-(1-piperidinylcarbonyl) Phenyl]-2,3- dihydro-1H-pyrrolo[1,2-c]imidazol-1-ones, a Recently Disclosed Class of Neuropeptide S Antagonists

Journal: Letters in Drug Design & Discovery
Volume: 10 Issue: 5 Year: 2013 Page: 396-401
Author(s): Gabriele Costantino, Marco Mor, Chiara Pecchini, Gian Paolo Vallerini, Elisa Della Turca, Fabrizio Micheli, Angela Worby, Romano Di Fabio, Angelo Giacometti, Adelheid Roth, Emilio Merlo-Pich, Matteo Biagetti, Giorgio Bonanomi, Dino Montanari, Luca Tarsi, Federica Tonelli, Raffaele Longhi, Anna Maria Capelli

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

Density Functional Theory, Docking, Bioisosteric Replacement, Pharmacophore Perception, Physical Chemical Analyses of the Interactions of Novel PIM-1 Inhibitors with Suitable Pharmacokinetic Properties for Cancer Treatment

Journal: Current Physical Chemistry
Volume: 3 Issue: 4 Year: 2013 Page: 408-412
Author(s): Luiz R. G. Filho,Gustavo Y. Miyake,Carlos H. T. P. da Silva

Pharmacophore, Similarity and ADMET Screening of Casein Kinase 1 inhibitors in Alzheimer's Disease

Journal: Current Bioactive Compounds
Volume: 9 Issue: 1 Year: 2013 Page: 27-36
Author(s): R. P. Rodrigues, C.H.T.P. Silva

General Theory for Multiple Input-Output Perturbations in Complex Molecular Systems. 1. Linear QSPR Electronegativity Models in Physical, Organic, and Medicinal Chemistry

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 1 Year: 2013 Page: 1713-1741
Author(s): Humberto Gonzalez-Diaz, Sonia Arrasate, Asier Gomez-SanJuan, Nuria Sotomayor, Esther Lete, Lina Besada-Porto, Juan M. Ruso

Pharmacophore Design, Virtual Screening, Molecular Docking and Optimization Approaches to Discover Potent Thrombin Inhibitors

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 16 Issue: 9 Year: 2013 Page: 702-720
Author(s): Chandrasekaran Loganathan, Sugunadevi Sakkiah, Keun Woo Lee, Senthamaraikannan Kabilan, Chandrasekaran Meganathan

Computational Modeling of Environmentally Responsive Hydrogels (ERH) for Drug Delivery System

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 1 Year: 2013 Page: 76-82
Author(s): P.K. Krishnan Namboori,U.P. Ranjini,Asha A. Manakadan,Anila Jose,K.S. Silvipriya,N. Belzik,O.M. Deepak

Screening of Few Epoxides as mt-MAPK Inhibitor Preventing Granuloma Formation to Serve as Tubercular Antidote

Journal: Letters in Drug Design & Discovery
Volume: 10 Issue: 2 Year: 2013 Page: 164-168
Author(s): Abhishek Chowdhury,Paulomi Paul,Pankaj Chetia,Manabendra Dutta Choudhury

A Rational Approach to Identify Inhibitors of Mycobacterium tuberculosis Enoyl Acyl Carrier Protein Reductase

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 2 Year: 2013 Page: 3878-3883
Author(s): Mahesh T Chhabria, Kailash B Parmar, Pathik S Brahmkshatriya

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