Search Result "ADMET score"

Markov-Randi c Indices for QSPR Re-Evaluation of Metabolic, Parasite- Host, Fasciolosis Spreading, Brain Cortex and Legal-Social Complex Networks

Journal: Current Bioinformatics
Volume: 8 Issue: 4 Year: 2013 Page: 401-415
Author(s): Pablo Riera-Fernandez, Cristian R. Munteanu, Raquel Martin-Romalde, Aliuska Duardo-Sanchez, Humberto Gonzalez-Diaz

Calculation Methods for the Enhancement of Pharmaceutical Properties in Small Molecules: Estimating the Cationic pKa

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 2 Year: 2013 Page: 4310-4315
Author(s): Ann R. Hermone, Rick Gussio

Pharmacophore Modeling for ADME

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 11 Year: 2013 Page: 1327-1342
Author(s): Osman F. Guner,J. Phillip Bowen

Editorial (Hot Topic : Computational Prediction of Drug-Target Interactions in Medicinal Chemistry)

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 1 Year: 2013 Page: 1619-1621
Author(s): Humberto Gonzalez-Diaz

Open Source Software and Web Services for Designing Therapeutic Molecules

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 1 Year: 2013 Page: 1172-1191
Author(s): Deepak Singla, Sandeep Kumar Dhanda, Jagat Singh Chauhan, Anshu Bhardwaj, Samir K. Brahmachari, Open Source Drug Discovery Consortium, Gajendra P.S. Raghava

Identification of Potent Inhibitors for Salmonella Typhimurium Quorum Sensing via Virtual Screening and Pharmacophore Modeling

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 16 Issue: 1 Year: 2013 Page: 826-839
Author(s): Shanmugam Gnanendra, Syed Mohamed, Jeyakumar Natarajan

Evolution of Graph Theory-Based QSAR Methods and their Applications to the Search for New Antibacterial Agents

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 24 Year: 2013 Page: 3101-3117
Author(s): Alejandro Speck-Planche,M.N.D.S. Cordeiro

Design, Virtual Screening and Docking Study of Novel NS3 Inhibitors by Targeting Protein-protein Interacting Sites of Dengue Virus - A Novel Approach

Journal: Current Pharmaceutical Biotechnology
Volume: 14 Issue: 11 Year: 2013 Page: 995-1008
Author(s): Pratap Parida,R.N.S. Yadav,Kishore Sarma,Lalit Mohan Nainwal

Multi-Aspect Candidates for Repositioning: Data Fusion Methods Using Heterogeneous Information Sources

Journal: Current Medicinal Chemistry
Volume: 20 Issue: 1 Year: 2013 Page: 95-107
Author(s): A. Arany,B. Bolgar,B. Balogh,P. Antal,P. Matyus

QSAR and Docking Based Semi-synthesis and in vitro Evaluation of 18 β-glycyrrhetinic Acid Derivatives Against Human Lung Cancer Cell Line A-549

Journal: Medicinal Chemistry
Volume: 9 Issue: 8 Year: 2013 Page: 1073-1084
Author(s): Dharmendra Kumar Yadav,Komal Kalani,Feroz Khan,Santosh Kumar Srivastava

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