Cheminformatics - PDFSEARCH.IO - Document Search Engine

Cheminformatics
Results: 1164

#	Item
611	PredTox 2003 Theory of Operation 8 February 2004 Introduction PredTox is a program for performing molecular aquatic toxicity predictions using a Linear Solvation Energy Relationship (LSER) model1. Input compounds are wri Add to Reading List Source URL: www.glsc.usgs.gov Language: English - Date: 2013-07-31 17:43:21 Encodings Chemical nomenclature Simple aromatic rings Aromatic hydrocarbon Simplified molecular-input line-entry specification Aromaticity Cycloalkane Aliphatic compound Chemical bond Chemistry Physical organic chemistry Cheminformatics
612	Microsoft PowerPoint - biochem494 lecture 1-UCSD Path Lecture I.ppt Add to Reading List Source URL: molpath.ucsd.edu Language: English - Date: 2013-04-09 17:02:07 Drug discovery Medicinal chemistry Pharmacology Cheminformatics Drug design CHARMM Molecular graphics Combinatorial chemistry Quantitative structure–activity relationship Chemistry Science Computational chemistry
613	Journal of The Electrochemical Society, 153 共11兲 H209-H216 共2006兲 H209[removed]153共11兲/H209/8/$20.00 © The Electrochemical Society Add to Reading List Source URL: enose.jpl.nasa.gov Language: English - Date: 2013-02-04 15:48:41 Analytical chemistry Pharmacology Computational chemistry Medicinal chemistry Quantitative structure–activity relationship Matrix Molecular descriptor Chemistry Cheminformatics Science
614	ChemSpider is a freely available database, based on chemical structures, that provides information on over 26 million de-duplicated compounds derived from over 400 sources. These sources include a wide variety of governm Add to Reading List Source URL: library.caltech.edu Language: English - Date: 2012-07-23 16:05:18 Chemical databases Chemical nomenclature Encodings ChemSpider International Chemical Identifier Chemicalize.org CAS registry number PubMed Simplified molecular-input line-entry specification Science Chemistry Cheminformatics
615	IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS, VOL. 17, NO. 8, Add to Reading List Source URL: www.inf.uni-konstanz.de Language: English - Date: 2010-11-08 10:09:35 Computer programming Cheminformatics Computational chemistry Data mining Chemical database Parallel algorithm Tree Association rule learning Algorithm Computing Concurrent computing Parallel computing
616	Fall 2005 Highlights • • • Add to Reading List Source URL: oldwww.acscomp.org Language: English - Date: 2011-07-01 06:30:23 Medicinal chemistry American Chemical Society Green chemistry Science Michelle Francl Chemical Computing Group William L. Jorgensen National Chemistry Week Chemist Chemistry Year of birth missing Cheminformatics
617	Developing Sensor Activity Relationships for the JPL Electronic Nose Sensors Us Add to Reading List Source URL: enose.jpl.nasa.gov Language: English - Date: 2013-02-04 15:48:42 Sensors Pharmacology Cheminformatics Computational chemistry Quantitative structure–activity relationship Matrix Polymer Calibration curve Chemistry Science Analytical chemistry
618	Package Vignette SimuChemPC Mohsen Ahmadi mohsen [removed] Add to Reading List Source URL: cran.r-project.org Language: English - Date: 2014-08-31 02:06:14 Cheminformatics Statistics Pharmacology Data file Files Quantitative structure–activity relationship Structure–activity relationship Statistical hypothesis testing Molecular descriptor Medicinal chemistry Science Chemistry
619	Understanding and correlating polymer-carbon black sensor response for air quality monitoring: An Experimental and Modeling St Add to Reading List Source URL: enose.jpl.nasa.gov Language: English - Date: 2013-02-04 15:48:42 Sensors Cheminformatics Computational chemistry Medicinal chemistry Quantitative structure–activity relationship Chemistry Science Pharmacology
620	C:/KN-WORK/WORK/DiMoFa05/conferences/IASTED-PDCS/CR/difatta.dvi Add to Reading List Source URL: www.inf.uni-konstanz.de Language: English - Date: 2010-11-08 10:09:34 Parallel computing Cheminformatics Computational chemistry NP-complete problems Data mining Graph theory Subgraph isomorphism problem Parallel algorithm Association rule learning Theoretical computer science Computing Applied mathematics

UPDATE