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Equilibrium chemistry / Pharmacology / Solutions / Partition coefficient / Solvents / Solubility / Acid dissociation constant / Drug discovery / Root-mean-square deviation / Chemistry / Pharmaceutical sciences / Medicinal chemistry


Towards Predictive ADME Profiling of Drug Candidates: Lipophilicity and Solubility Gennadiy Poda1, Igor Tetko2,3 and Douglas C. Rohrer1, 1Pfizer Global Research & Development, St. Louis Laboratories, Pfizer Inc,
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Document Date: 2006-07-08 08:27:30


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Ann Arbor / La Jolla / Munich / Kalamazoo / San Diego / Kiev / St. Louis / /

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Pfizer Inc / NlogD / Pfizer Global Solubility Working Group / ACS / Virtual Computational Chemistry Laboratory / St. Louis Laboratories / Groton Laboratories / Pharmacia / Pfizer Global / /

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United States / /

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LIBRARY ASNN LOO / LIBRARY ALOGPS LOO / ALOGPS LIBRARY / /

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chemical space / prediction protocols / carrier-mediated uptake / pharmaceutical industry / chemical compounds / analyzed chemical series / associative neural networks / chemical structures / /

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Ukrainian Academy of Sciences / Institute for Bioinformatics / Munich / Germany / and 3Institute of Bioorganic and Petroleum Chemistry / World Health Organization / /

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Kjell Johnson / MAE SENTENCE / Pil H. Lee / Franco Lombardo / Shaughn Robinson / Jason D. Hughes / Jarek Kostrowicki / Eric Gifford / Marina Shalaeva / Hongzhou Zhang / Marcel de Groot / Hua Gao / Howard Ando / Crystal Packing / /

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MP / /

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Missouri / California / /

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pharmacokinetics / Bioinformatics / drug design / Three prediction protocols / /

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