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Molecular descriptor
Results: 56

#	Item
1	Data Mining in Bioinformatics Day 8: Graph Mining for Chemoinformatics and Drug Discovery Chloé-Agathe Azencott Machine Learning & Computational Biology Research Group MPIs Tübingen Add to Reading List Source URL: agbs.kyb.tuebingen.mpg.de Language: English - Date: 2012-02-14 08:07:29 Pharmacology Cheminformatics Drug discovery Medicinal chemistry Computational chemistry Quantitative structure–activity relationship Molecular descriptor Drug design Pharmaceutical sciences Science Chemistry
2	Descriptor-free molecular discovery in large libraries by adaptive substituent reordering Add to Reading List Source URL: www.princeton.edu Language: English - Date: 2010-10-27 20:48:54 Cheminformatics Medicinal chemistry Pharmacology Organic chemistry Quantitative structure–activity relationship Substituent Combinatorial chemistry Drug discovery Chemistry Pharmaceutical sciences Science
3	Review1 of Handbook of Chemoinformatics Algorithms by Faulon, Bender, eds. CRC Press, pages, hardcover Review by Add to Reading List Source URL: www.cs.iastate.edu Language: English - Date: 2011-02-14 14:48:03 Pharmaceutical sciences Computational chemistry Medicinal chemistry Pharmacology Quantitative structure–activity relationship Molecular descriptor Chemical database Topological index Chemical structure Chemistry Science Cheminformatics
4	RDKit Documentation ReleaseGreg Landrum October 31, 2014 Add to Reading List Source URL: rdkit.org Language: English - Date: 2014-10-31 00:18:26 Cheminformatics Computational chemistry NumPy Yellowdog Updater Modified BALL RPM Package Manager CentOS Molecular descriptor Python Software Science Computing
5	j1 1 Current Modeling Methods Used in QSAR/QSPR Liew Chin Yee and Yap Chun Wei Add to Reading List Source URL: www.wiley-vch.de Language: English - Date: 2012-05-06 21:05:24 Chemistry Medicinal chemistry Econometrics Regression analysis Neural networks Quantitative structure–activity relationship Molecular descriptor Artificial neural network Feedforward neural network Statistics Science Cheminformatics
6	221 Modelling and Prediction of Toxicity of Environmental Pollutants Frank Lemke1, Johann-Adolf Müller1, and Emilio Benfenati2 1 Add to Reading List Source URL: www.knowledgeminer.eu Language: English - Date: 2012-09-25 05:27:08 Mathematics Pharmacology Computational chemistry Group method of data handling Quantitative structure–activity relationship Scientific modelling Mathematical model Model Molecular descriptor Statistics Science Cheminformatics
7	By Cikui Liang and David A. Gallagher Prediction of physical and chemical properties by quantitative structureproperty relationships T Add to Reading List Source URL: cacheresearch.com Language: English - Date: 2007-07-07 18:00:22 Cheminformatics Organochlorides Persistent organic pollutants Solubility Partition coefficient Molecular descriptor Quantitative structure–activity relationship Solvent Polychlorinated biphenyl Chemistry Solutions Medicinal chemistry
8	QSPR Prediction of Vapor Pressure from Solely Theoretically-Derived Descriptors Cikui Liang§ Department of Environmental Science & Engineering, Oregon Graduate Institute, P.O. Box 91000, Portland, Oregon[removed]Dav Add to Reading List Source URL: cacheresearch.com Language: English - Date: 2007-07-07 18:00:18 Mathematical chemistry Econometrics Inorganic solvents Molecular descriptor Quantitative structure–activity relationship Partition coefficient Dipole Vapor pressure Regression analysis Chemistry Cheminformatics Medicinal chemistry
9	Performance descriptors for use in key stage 1 and 2 statutory teacher assessment for[removed]SCORE’s response to the Department for Education consultation. Add to Reading List Source URL: www.iop.org Language: English - Date: 2015-04-07 10:02:43 Quality assurance Association of Language Testers in Europe Science education EAR Computing Molecular descriptor Language certification Education Evaluation
10	221 Modelling and Prediction of Toxicity of Environmental Pollutants Frank Lemke1, Johann-Adolf Müller1, and Emilio Benfenati2 1 Add to Reading List Source URL: www.knowledgeminer.com Language: English - Date: 2004-11-29 23:17:00 Mathematics Pharmacology Computational chemistry Group method of data handling Quantitative structure–activity relationship Scientific modelling Mathematical model Model Molecular descriptor Statistics Science Cheminformatics