Search results for "Stereochemistry"

Hits ?▲	Authors	Title	Venue	Year	Link	Author keywords
69	Issa Yavari, Arash Jabbari, Shahram Moradi	Conformations of 1, 2, 4, 6-Tetrathiepane.	ICCSA (2)	2004	DBLP DOI BibTeX RDF	Cyclic polysulfide, Stereochemistry, Conformational analysis, Ab initio calculations
28	Oleg I. Kolodiazhnyi	Phosphorus Compounds of Natural Origin: Prebiotic, Stereochemistry, Application.	Symmetry	2021	DBLP DOI BibTeX RDF
28	Sebastian Habig	Who can benefit from augmented reality in chemistry? Sex differences in solving stereochemistry problems using augmented reality.	Br. J. Educ. Technol.	2020	DBLP DOI BibTeX RDF
28	Lennard Böselt, Dominik Sidler, Tobias Kittelmann, Jürgen Stohner, Daniel Zindel, Trixie Wagner, Sereina Riniker	Determination of Absolute Stereochemistry of Flexible Molecules Using a Vibrational Circular Dichroism Spectra Alignment Algorithm.	J. Chem. Inf. Model.	2019	DBLP DOI BibTeX RDF
28	Connor W. Coley, William H. Green Jr., Klavs F. Jensen	RDChiral: An RDKit Wrapper for Handling Stereochemistry in Retrosynthetic Template Extraction and Application.	J. Chem. Inf. Model.	2019	DBLP DOI BibTeX RDF
28	Robert M. Hanson, Sophia Musacchio, John W. Mayfield, Mikko J. Vainio, Andrey Yerin, Dmitry Redkin	Algorithmic Analysis of Cahn-Ingold-Prelog Rules of Stereochemistry: Proposals for Revised Rules and a Guide for Machine Implementation.	J. Chem. Inf. Model.	2018	DBLP DOI BibTeX RDF
28	Narasimha Swamy K. L, Pankaj S. Chavan, Sahana Murthy	StereoChem: Augmented Reality 3D Molecular Model Visualization App for Teaching and Learning Stereochemistry.	ICALT	2018	DBLP DOI BibTeX RDF
28	Ye Hu, Bijun Zhang, Martin Vogt 0001, Jürgen Bajorath	AnalogExplorer2 - Stereochemistry sensitive graphical analysis of large analog series.	F1000Research	2015	DBLP DOI BibTeX RDF
28	Anita Plazinska, Wojciech Plazinski, Krzysztof Józwiak	Fast, metadynamics-based method for prediction of the stereochemistry-dependent relative free energies of ligand-receptor interactions.	J. Comput. Chem.	2014	DBLP DOI BibTeX RDF
28	Jon Chambers, Mark Davies, Anna Gaulton, George Papadatos, Anne Hersey, John P. Overington	UniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layers.	J. Cheminformatics	2014	DBLP DOI BibTeX RDF
28	Ana L. Teixeira, João Paulo Leal, André O. Falcão	Automated Identification and Classification of Stereochemistry: Chirality and Double Bond Stereoisomerism	CoRR	2013	DBLP BibTeX RDF
28	Alberto Gobbi, Man-Ling Lee	Handling of Tautomerism and Stereochemistry in Compound Registration.	J. Chem. Inf. Model.	2012	DBLP DOI BibTeX RDF
28	Peter F. Linington	The Stereochemistry of Enterprise Objects.	EDOCW	2010	DBLP DOI BibTeX RDF	Enterprise Language, Distributed Systems, Community, Composition, Binding, ODP
28	Wesley H. Brooks, Kenyon G. Daniel, Shen-Shu Sung, Wayne C. Guida	Computational Validation of the Importance of Absolute Stereochemistry in Virtual Screening.	J. Chem. Inf. Model.	2008	DBLP DOI BibTeX RDF
28	Tobias Fink, Jean-Louis Reymond	Virtual Exploration of the Chemical Universe up to 11 Atoms of C, N, O, F: Assembly of 26.4 Million Structures (110.9 Million Stereoisomers) and Analysis for New Ring Systems, Stereochemistry, Physicochemical Properties, Compound Classes, and Drug Discovery.	J. Chem. Inf. Model.	2007	DBLP DOI BibTeX RDF
28	Robert Izsak, Balázs Jójárt, Imre G. Csizmadia, Béla Viskolcz	Role of Aromacity, Ring Strain, and Stereochemistry of Selected Disulfides and Their Congeners in the Oxidative Linkage of DNA Strands at the Major Groove. A Computational Study.	J. Chem. Inf. Model.	2006	DBLP DOI BibTeX RDF
28	Krishna K. Agarwal	An Algorithm for Computing the Automorphism Group of Organic Structures with Stereochemistry and a Measure of its Efficiency.	J. Chem. Inf. Comput. Sci.	1998	DBLP DOI BibTeX RDF
28	Andreas Dietz, Christophe Fiorio, Michel Habib, Claude Laurenço	Representation of stereochemistry using combinatorial maps.	Discrete Mathematical Chemistry	1998	DBLP DOI BibTeX RDF
28	Jörg Weiser, Max C. Holthausen, Lutz Fitjer	HUNTER: A conformational search program for acyclic to polycyclic molecules with special emphasis on stereochemistry.	J. Comput. Chem.	1997	DBLP DOI BibTeX RDF
28	Edward S. Wilks	Polymer Nomenclature and Structure: A Comparison of Systems Used by CAS, IUPAC, MDL, and DuPont, 4. Stereochemistry, Inorganic, Coordination, Double-Strand, Polysiloxanes, Oligomers, Telomers.	J. Chem. Inf. Comput. Sci.	1997	DBLP DOI BibTeX RDF
28	Michael Falk, Peter F. Spierenburg, John A. Walter	Determination of the stereochemistry of natural products from nuclear magnetic resonance data by constrained molecular dynamics.	J. Comput. Chem.	1996	DBLP DOI BibTeX RDF
28	Stephen H. Muggleton, David Page, Ashwin Srinivasan 0001	An Initial Experiment into Stereochemistry-Based Drug Design Using Inductive Logic Programming.	Inductive Logic Programming Workshop	1996	DBLP DOI BibTeX RDF
28	Wolf-Dietrich Ihlenfeldt, Johann Gasteiger	Augmenting Connectivity Information by Compound Name Parsing: Automatic Assignment of Stereochemistry and Isotope Labeling.	J. Chem. Inf. Comput. Sci.	1995	DBLP DOI BibTeX RDF
28	Krishna K. Agarwal, Herbert L. Gelernter	A Computer-Oriented Linear Canonical Notational System for the Representation of Organic Structures with Stereochemistry.	J. Chem. Inf. Comput. Sci.	1994	DBLP DOI BibTeX RDF
28	Marko Razinger, Marko Perdih	Computerized Stereochemistry: Coding and Naming Configurational Stereoisomers.	J. Chem. Inf. Comput. Sci.	1994	DBLP DOI BibTeX RDF
28	John Maddock, Gerald Pattenden, Paul G. Wight	Stereochemistry of ulapualides, a new family of tris-oxazole-containing macrolide ionophores from marine nudibranchs. A molecular mechanics study.	J. Comput. Aided Mol. Des.	1993	DBLP DOI BibTeX RDF
28	Marcel L. Verdonk, Gertjan J. Boks, Huub Kooijman, Jan A. Kanters, Jan Kroon	Stereochemistry of charged nitrogen-aromatic interactions and its involvement in ligand-receptor binding.	J. Comput. Aided Mol. Des.	1993	DBLP DOI BibTeX RDF
28	D. I. Cooke-Fox, J. F. Ewart, G. H. Kirby, M. R. Lord, J. D. Rayner	The Concise Connection Table: collected definitions with extensions for stereochemistry and saccharides.	J. Chem. Inf. Comput. Sci.	1992	DBLP DOI BibTeX RDF
28	James E. Blackwood, Paul E. Blower Jr., S. W. Layten, D. H. Lillie, Alan H. Lipkus, J. P. Peer, C. Qian, L. M. Staggenborg, Charles E. Watson	Chemical Abstracts Service Chemical Registry System. 13. Enhanced handling of stereochemistry.	J. Chem. Inf. Comput. Sci.	1991	DBLP DOI BibTeX RDF
28	Tatsuya Akutsu	A new method of computer representation of stereochemistry. Transforming a stereochemical structure into a graph.	J. Chem. Inf. Comput. Sci.	1991	DBLP DOI BibTeX RDF
28	Ivar Ugi, Bernhard Gruber, Natalie Stein, Anton Demharter	Set-valued maps as a mathematical basis of computer assistance in stereochemistry.	J. Chem. Inf. Comput. Sci.	1990	DBLP DOI BibTeX RDF
28	F. Choplin, R. Marc, Gérard Kaufmann, W. Todd Wipke	Computer Design of Synthesis in Phosphorus Chemistry: Automatic Treatment of Stereochemistry.	J. Chem. Inf. Comput. Sci.	1978	DBLP DOI BibTeX RDF
28	James E. Blackwood, Patricia M. Elliott, Robert E. Stobaugh, Charles E. Watson	The Chemical Abstracts Service Chemical Registry System. III. Stereochemistry.	J. Chem. Inf. Comput. Sci.	1977	DBLP DOI BibTeX RDF