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51 articles with title/keywords/abstract containing CHEMINFORMATICS

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Author: Gonzalez-Diaz, Humberto

Source: Current Proteomics, Volume 6, Number 4, December 2009 , pp. 203-203(1)

Publisher: Bentham Science Publishers

Discovery of Selective Probes and Antagonists for G Protein-Coupled Receptors FPR/FPRL1 and GPR30

Authors: Arterburn, Jeffrey B.; Oprea, Tudor I.; Prossnitz, Eric R.; Edwards, Bruce S.; Sklar, Larry A.

Source: Current Topics in Medicinal Chemistry, Volume 9, Number 13, September 2009 , pp. 1227-1236(10)

Publisher: Bentham Science Publishers

DSSTox chemical-index files for exposure-related experiments in ArrayExpress and Gene Expression Omnibus: enabling toxico-chemogenomics data linkages

Authors: Williams-DeVane, ClarLynda R.; Wolf, Maritja A.; Richard, Ann M.

Source: Bioinformatics, Volume 25, Number 5, 1 March 2009 , pp. 692-694(3)

Publisher: Oxford University Press

Implications of the Dominant Role of Transporters in Drug Uptake by Cells (Supplementary Material)

Authors: Dobson, Paul D.; Lanthaler, Karin; Oliver, Stephen G.; Kell, Douglas B.

Source: Current Topics in Medicinal Chemistry, Volume 9, Number 2, February 2009 , pp. 163-181(19)

Publisher: Bentham Science Publishers

Pharmacokinetics Prediction and Drugability Assessment of Diphenylheptanoids from Turmeric (Curcuma longa L)

Authors: Balaji, S.; Chempakam, B.

Source: Medicinal Chemistry, Volume 5, Number 2, March 2009 , pp. 130-138(9)

Publisher: Bentham Science Publishers

Computational toxicology: an overview of the sources of data and of modelling methods

Authors: Nigsch, Florian; Macaluso, NJ Maximilan; Mitchell, John BO; Zmuidinavicius, Donatas

Source: Expert Opinion on Drug Metabolism and Toxicology, Volume 5, Number 1, January 2009 , pp. 1-14(14)

Publisher: Informa Healthcare

Self-Organizing Maps in Drug Discovery: Compound Library Design, Scaffold-Hopping, Repurposing

Authors: Schneider, P.; Tanrikulu, Y.; Schneider, G.

Source: Current Medicinal Chemistry, Volume 16, Number 3, January 2009 , pp. 258-266(9)

Publisher: Bentham Science Publishers

Comparative QSAR as a Cheminformatics Tool in the Design of Dihydro- Pyranone Based HIV-1 Protease Inhibitors

Authors: Bhhatarai, Barun; Garg, Rajni

Source: Current Computer - Aided Drug Design, Volume 4, Number 4, December 2008 , pp. 283-310(28)

Publisher: Bentham Science Publishers

Quantitative Structure Activity Relationship and Pharmacophore Studies of Adenosine Receptor A2B Inhibitors

Authors: Joseph, Tej Bhalla; Suneel Kumar, B.V.S.; Santhosh, Bairy; Kriti, Singh; Pramod, A. B.; Ravikumar, Muttineni; Kishore, Madala

Source: Chemical Biology & Drug Design, Volume 72, Number 5, November 2008 , pp. 395-408(14)

Publisher: Blackwell Publishing

Concept of Combinatorial De Novo Design of Drug-like Molecules by Particle Swarm Optimization

Authors: Hartenfeller, Markus; Proschak, Ewgenij; Schüller, Andreas; Schneider, Gisbert

Source: Chemical Biology & Drug Design, Volume 72, Number 1, July 2008 , pp. 16-26(11)

Publisher: Blackwell Publishing

Virtual Screening of Cathepsin K Inhibitors Using Docking and Pharmacophore Models

Authors: Ravikumar, Muttineni; Pavan, S.; Bairy, Santhosh; Pramod, A. B.; Sumakanth, M.; Kishore, Madala; Sumithra, Tirunagaram

Source: Chemical Biology & Drug Design, Volume 72, Number 1, July 2008 , pp. 79-90(12)

Publisher: Blackwell Publishing

Genome scale enzyme-metabolite and drug-target interaction predictions using the signature molecular descriptor

Authors: Faulon, Jean-Loup; Misra, Milind; Martin, Shawn; Sale, Ken; Sapra, Rajat

Source: Bioinformatics, Volume 24, Number 2, 15 January 2008 , pp. 225-233(9)

Publisher: Oxford University Press

Molecule of the Month

Author: Lindsley, Craig W.

Source: Current Topics in Medicinal Chemistry, Volume 8, Number 6, April 2008 , pp. 531-531(1)

Publisher: Bentham Science Publishers

Pharmacophore-Based Virtual Screening

Author: Sun, Hongmao

Source: Current Medicinal Chemistry, Volume 15, Number 10, April 2008 , pp. 1018-1024(7)

Publisher: Bentham Science Publishers

Mutagenicity of Nitrated Polycyclic Aromatic Hydrocarbons: A QSAR Investigation

Authors: Singh, Jyoti; Singh, Shalini; Shaik, Basheerulla; Deeb, Omar; Sohani, Neena; Agrawal, Vijay K.; Khadikar, Padmakar V.

Source: Chemical Biology & Drug Design, Volume 71, Number 3, March 2008 , pp. 230-243(14)

Publisher: Blackwell Publishing

MLR-ANN and RTO Approach to μ-opioid Receptor-binding Affinity. Pooling Data from Different Sources

Authors: Ramírez-Galicia, Guillermo; Garduño-Juárez, Ramón; Deeb, Omar; Hemmateenejad, Bahram

Source: Chemical Biology & Drug Design, Volume 71, Number 3, March 2008 , pp. 260-270(11)

Publisher: Blackwell Publishing

Designing Drugs on the Internet? Free Web Tools and Services Supporting Medicinal Chemistry

Authors: Ertl, Peter; Jelfs, Stephen

Source: Current Topics in Medicinal Chemistry, Volume 7, Number 15, August 2007 , pp. 1491-1501(11)

Publisher: Bentham Science Publishers

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