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	261.	Capturing mixture composition: an open machine-readable format for representing mixed substances. [electronic resource] by Clark, Alex M McEwen, Leah R Gedeck, Peter Bunin, Barry A Publication details: Journal of cheminformatics May 2019 In: Journal of cheminformatics vol. 11 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	262.	Gypsum-DL: an open-source program for preparing small-molecule libraries for structure-based virtual screening. [electronic resource] by Ropp, Patrick J Spiegel, Jacob O Walker, Jennifer L Green, Harrison Morales, Guillermo A Milliken, Katherine A Ringe, John J Durrant, Jacob D Publication details: Journal of cheminformatics May 2019 In: Journal of cheminformatics vol. 11 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	263.	Algorithm-supported, mass and sequence diversity-oriented random peptide library design. [electronic resource] by Kalafatovic, Daniela Mauša, Goran Todorovski, Toni Giralt, Ernest Publication details: Journal of cheminformatics Mar 2019 In: Journal of cheminformatics vol. 11 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	264.	PyLAT: Python LAMMPS Analysis Tools. [electronic resource] by Humbert, Michael T Zhang, Yong Maginn, Edward J Producer: 20200601 In: Journal of chemical information and modeling vol. 59 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	265.	KMR: knowledge-oriented medicine representation learning for drug-drug interaction and similarity computation. [electronic resource] by Shen, Ying Yuan, Kaiqi Yang, Min Tang, Buzhou Li, Yaliang Du, Nan Lei, Kai Publication details: Journal of cheminformatics Mar 2019 In: Journal of cheminformatics vol. 11 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	266.	RDChiral: An RDKit Wrapper for Handling Stereochemistry in Retrosynthetic Template Extraction and Application. [electronic resource] by Coley, Connor W Green, William H Jensen, Klavs F Producer: 20200813 In: Journal of chemical information and modeling vol. 59 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	267.	Molecular Simulation in Latin America: Coming of Age. [electronic resource] by Soares, Thereza A Wahab, Habibah A Producer: 20200910 In: Journal of chemical information and modeling vol. 59 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	268.	PubChem chemical structure standardization. [electronic resource] by Hähnke, Volker D Kim, Sunghwan Bolton, Evan E Publication details: Journal of cheminformatics Aug 2018 In: Journal of cheminformatics vol. 10 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	269.	SPICES: a particle-based molecular structure line notation and support library for mesoscopic simulation. [electronic resource] by van den Broek, Karina Daniel, Mirco Epple, Matthias Kuhn, Hubert Schaub, Jonas Zielesny, Achim Publication details: Journal of cheminformatics Aug 2018 In: Journal of cheminformatics vol. 10 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	270.	Computer-Aided Drug Design of β-Secretase, γ-Secretase and Anti-Tau Inhibitors for the Discovery of Novel Alzheimer's Therapeutics. [electronic resource] by Mouchlis, Varnavas D Melagraki, Georgia Zacharia, Lefteris C Afantitis, Antreas Producer: 20201112 In: International journal of molecular sciences vol. 21 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	271.	Computer-assisted methods for molecular structure elucidation: realizing a spectroscopist's dream. [electronic resource] by Elyashberg, Mikhail Blinov, Kirill Molodtsov, Sergey Smurnyy, Yegor Williams, Antony J Churanova, Tatiana Producer: 20100209 In: Journal of cheminformatics vol. 1 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	272.	OrChem - An open source chemistry search engine for Oracle(R). [electronic resource] by Rijnbeek, Mark Steinbeck, Christoph Producer: 20110714 In: Journal of cheminformatics vol. 1 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	273.	Evaluation of computational chemistry methods: crystallographic and cheminformatics analysis of aminothiazole methoximes. [electronic resource] by Ercanli, Tulay Boyd, Donald B Producer: 20051027 In: Journal of chemical information and modeling vol. 45 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	274.	Ensemble methods for classification in cheminformatics. [electronic resource] by Merkwirth, Christian Mauser, Harald Schulz-Gasch, Tanja Roche, Olivier Stahl, Martin Lengauer, Thomas Producer: 20051107 In: Journal of chemical information and computer sciences vol. 44 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	275.	Making SharePoint® Chemically Aware™. [electronic resource] by Tallapragada, Kartik Chewning, Joseph Kombo, David Ludwick, Beverly Producer: 20121002 In: Journal of cheminformatics vol. 4 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	276.	Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on. [electronic resource] by O'Boyle, Noel M Guha, Rajarshi Willighagen, Egon L Adams, Samuel E Alvarsson, Jonathan Bradley, Jean-Claude Filippov, Igor V Hanson, Robert M Hanwell, Marcus D Hutchison, Geoffrey R James, Craig A Jeliazkova, Nina Lang, Andrew Sid Langner, Karol M Lonie, David C Lowe, Daniel M Pansanel, Jérôme Pavlov, Dmitry Spjuth, Ola Steinbeck, Christoph Tenderholt, Adam L Theisen, Kevin J Murray-Rust, Peter Producer: 20111110 In: Journal of cheminformatics vol. 3 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	277.	Three stories about the conduct of science: Past, future, and present. [electronic resource] by Neylon, Cameron Producer: 20111110 In: Journal of cheminformatics vol. 3 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	278.	Open Babel: An open chemical toolbox. [electronic resource] by O'Boyle, Noel M Banck, Michael James, Craig A Morley, Chris Vandermeersch, Tim Hutchison, Geoffrey R Producer: 20111110 In: Journal of cheminformatics vol. 3 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	279.	An investigation into pharmaceutically relevant mutagenicity data and the influence on Ames predictive potential. [electronic resource] by McCarren, Patrick Springer, Clayton Whitehead, Lewis Producer: 20121002 In: Journal of cheminformatics vol. 3 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	280.	Structure-based classification and ontology in chemistry. [electronic resource] by Hastings, Janna Magka, Despoina Batchelor, Colin Duan, Lian Stevens, Robert Ennis, Marcus Steinbeck, Christoph Producer: 20121002 In: Journal of cheminformatics vol. 4 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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Your search returned 676 results.