Results 1 - 10 for Simplified molecular input line entry specification

Building a Chemical Informatics Grid
SMILES: Simplified Molecular Input Line Entry Specification Ñ Language for describing the structure of chemical molecules using ASCII strings. http://www.daylight.com/dayhtml/doc ...
http://www.chembiogrid.org/presentations/CICC-MEP-SDSC-final.pdf
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Imperial College
22 2.5 Molecular Modelling Languages 2.5.1 SMILES (Simplified Molecular Input Line Entry Specification) SMILES is a simple yet comprehensive chemical nomenclature designed for computer ...
http://www.doc.ic.ac.uk/~sgc/teaching/projects/MatthewPeelReport.pdf
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Prediction of Molecular Substructures from Mass Spectrograms
SMILES isanabbreviation for simplified molecular input line entry specification. This specification uses ASCII strings to represent unambiguously the molecule's structure. 3 ...
http://www.cs.kuleuven.be/~dtai/publications/files/43161.pdf
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ANew Method to Estimate Ligand-Receptor Energetics*
... Institutes of Health Open Da-tabaseof Compounds.5 The data entries were represented as "SMILES"strings, where SMILES (Simplified Molecular Input Line Entry System) is a specification ...
http://www.mcponline.org/cgi/reprint/1/11/904.pdf
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Exercise 1: Find information about the drug, warfarin, including ...
... e.g. toxicity, mechanism of action, pharmacology, interactions, pharmacokinetics, molecular weight, chemical formula, and SMILES (Simplified Molecular Input Line Entry Specification ...
http://www.pharmgkb.org/resources/forScientificUsers/10354734.pdf
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Using AutoDock 4 for Virtual Screening
SMILES Simplified Molecular Input Line Entry Specification A string of letters, numbers and other characters that specify the atoms, their connectivity, bond orders, & chirality http://www ...
http://autodock.scripps.edu/faqs-help/tutorial/using-autodock4-for-virtual-screening/VSTutorial2.2008.pdf
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Kenneth Stauffer
Golden Helix, Inc., Bozeman, MO. 7/2004 - 10/2004 • Wrote a yacc parser for the SMILES language (Simplified Molecular Input Line Entry Specification).
http://www.stauffercom.com/ResumeNew2007.pdf
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EPI Suite v3.20 Tutorial
As you can see below, EPI Suite offers simplified molecular input line entry specification (SMILES) input format as well as Name Lookup features.
http://www.owlnet.rice.edu/~mtomson/CEVE637/epi/EPI_Suite_Tutorial.pdf
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Using AutoDock for Virtual Screening
SMILES Simplified Molecular Input Line Entry Specification A string of letters, numbers and other characters that specify the atoms, their connectivity, bond orders, & chirality http://www ...
http://autodock.scripps.edu/faqs-help/tutorial/using-autodock-for-virtual-screening/VSTutorial2.pdf
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ENVIRONMENTAL HEALTH PERSPECTIVES
... Evaluation, and Authorization of Chemicals SAR - Structure-Activity Relationship SIDS - Screening Information Data Set SMILES - Simplified Molecular Input Line Entry Specification SRS ...
http://www.ehponline.org/docs/2008/0800168/abstract.pdf
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