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	541.	Exploring chemical space for drug discovery using the chemical universe database. [electronic resource] by Reymond, Jean-Louis Awale, Mahendra Producer: 20130419 In: ACS chemical neuroscience vol. 3 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	542.	Academic librarians at play in the field of cheminformatics: building the case for chemistry research data management. [electronic resource] by McEwen, Leah Li, Ye Producer: 20150625 In: Journal of computer-aided molecular design vol. 28 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	543.	RIFM fragrance ingredient safety assessment, acetal, CAS Registry Number 105-57-7. [electronic resource] by Api, A M Belsito, D Botelho, D Bruze, M Burton, G A Buschmann, J Dagli, M L Date, M Dekant, W Deodhar, C Francis, M Fryer, A D Jones, L Joshi, K La Cava, S Lapczynski, A Liebler, D C O'Brien, D Patel, A Penning, T M Ritacco, G Romine, J Sadekar, N Salvito, D Schultz, T W Sipes, I G Sullivan, G Thakkar, Y Tokura, Y Tsang, S Producer: 20190218 In: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association vol. 122 Suppl 1 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	544.	RIFM FRAGRANCE INGREDIENT SAFETY ASSESSMENT, butanoic acid, 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indenyl ester, CAS Registry Number 113889-23-9. [electronic resource] by Api, A M Belsito, D Botelho, D Bruze, M Burton, G A Buschmann, J Dagli, M L Date, M Dekant, W Deodhar, C Francis, M Fryer, A D Jones, L Joshi, K La Cava, S Lapczynski, A Liebler, D C O'Brien, D Patel, A Penning, T M Ritacco, G Romine, J Sadekar, N Salvito, D Schultz, T W Sipes, I G Sullivan, G Thakkar, Y Tokura, Y Tsang, S Producer: 20190114 In: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association vol. 118 Suppl 1 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	545.	Can in vitro mammalian cell genotoxicity test results be used to complement positive results in the Ames test and help predict carcinogenic or in vivo genotoxic activity? II. Construction and analysis of a consolidated database. [electronic resource] by Kirkland, David Zeiger, Errol Madia, Federica Corvi, Raffaella Producer: 20150121 In: Mutation research. Genetic toxicology and environmental mutagenesis vol. 775-776 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	546.	Improved Carbohydrate Structure Generalization Scheme for (1)H and (13)C NMR Simulations. [electronic resource] by Kapaev, Roman R Toukach, Philip V Producer: 20160407 In: Analytical chemistry vol. 87 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	547.	CellFateScout - a bioinformatics tool for elucidating small molecule signaling pathways that drive cells in a specific direction. [electronic resource] by Siatkowski, Marcin Liebscher, Volkmar Fuellen, Georg Producer: 20140606 In: Cell communication and signaling : CCS vol. 11 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	548.	Novel naïve Bayes classification models for predicting the carcinogenicity of chemicals. [electronic resource] by Zhang, Hui Cao, Zhi-Xing Li, Meng Li, Yu-Zhi Peng, Cheng Producer: 20170307 In: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association vol. 97 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	549.	Metabolomics-based approach for ranking the candidate structures of unidentified peaks in capillary electrophoresis time-of-flight mass spectrometry. [electronic resource] by Yamamoto, Hiroyuki Sasaki, Kazunori Producer: 20170918 In: Electrophoresis vol. 38 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	550.	BitterX: a tool for understanding bitter taste in humans. [electronic resource] by Huang, Wenkang Shen, Qiancheng Su, Xubo Ji, Mingfei Liu, Xinyi Chen, Yingyi Lu, Shaoyong Zhuang, Hanyi Zhang, Jian Producer: 20170302 In: Scientific reports vol. 6 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	551.	LipidMS: An R Package for Lipid Annotation in Untargeted Liquid Chromatography-Data Independent Acquisition-Mass Spectrometry Lipidomics. [electronic resource] by Alcoriza-Balaguer, María Isabel García-Cañaveras, Juan Carlos López, Adrián Conde, Isabel Juan, Oscar Carretero, Julián Lahoz, Agustín Producer: 20200630 In: Analytical chemistry vol. 91 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	552.	Development of an Information System of Structures and Force Field Parameters of Chemical Compounds from Sri Lankan Flora. [electronic resource] by Rathnayake, Samith Weerasinghe, Samantha Producer: 20190822 In: Combinatorial chemistry & high throughput screening vol. 21 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	553.	METLIN: A Technology Platform for Identifying Knowns and Unknowns. [electronic resource] by Guijas, Carlos Montenegro-Burke, J Rafael Domingo-Almenara, Xavier Palermo, Amelia Warth, Benedikt Hermann, Gerrit Koellensperger, Gunda Huan, Tao Uritboonthai, Winnie Aisporna, Aries E Wolan, Dennis W Spilker, Mary E Benton, H Paul Siuzdak, Gary Producer: 20190211 In: Analytical chemistry vol. 90 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	554.	Graph mining: procedure, application to drug discovery and recent advances. [electronic resource] by Takigawa, Ichigaku Mamitsuka, Hiroshi Producer: 20131107 In: Drug discovery today vol. 18 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	555.	PASS Targets: Ligand-based multi-target computational system based on a public data and naïve Bayes approach. [electronic resource] by Pogodin, P V Lagunin, A A Filimonov, D A Poroikov, V V Producer: 20160816 In: SAR and QSAR in environmental research vol. 26 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	556.	Evidence-Based and Quantitative Prioritization of Tool Compounds in Phenotypic Drug Discovery. [electronic resource] by Wang, Yuan Cornett, Allen King, Fred J Mao, Yi Nigsch, Florian Paris, C Gregory McAllister, Gregory Jenkins, Jeremy L Producer: 20171108 In: Cell chemical biology vol. 23 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	557.	What is the future for fragment-based drug discovery? [electronic resource] by Keserű, György M Hann, Michael M Producer: 20180308 In: Future medicinal chemistry vol. 9 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	558.	[Action mechanism of total flavonoids of Hippophae rhamnoides in treatment of myocardial ischemia based on network pharmacology]. [electronic resource] by Wei, Zhi-Cheng Tong, Dong Yang, Juan Zhao, Ke-Hui Meng, Xian-Li Zhang, Yi Producer: 20180625 In: Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica vol. 42 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	559.	Chemical features mining provides new descriptive structure-odor relationships. [electronic resource] by Licon, Carmen C Bosc, Guillaume Sabri, Mohammed Mantel, Marylou Fournel, Arnaud Bushdid, Caroline Golebiowski, Jerome Robardet, Celine Plantevit, Marc Kaytoue, Mehdi Bensafi, Moustafa Producer: 20191112 In: PLoS computational biology vol. 15 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	560.	RIFM FRAGRANCE INGREDIENT SAFETY ASSESSMENT, Terpinyl butyrate, CAS Registry Number 2153-28-8. [electronic resource] by Api, A M Belsito, D Botelho, D Bruze, M Burton, G A Buschmann, J Dagli, M L Date, M Dekant, W Deodhar, C Francis, M Fryer, A D Jones, L Joshi, K La Cava, S Lapczynski, A Liebler, D C O'Brien, D Patel, A Penning, T M Ritacco, G Romine, J Sadekar, N Salvito, D Schultz, T W Sipes, I G Sullivan, G Thakkar, Y Tokura, Y Tsang, S Producer: 20190114 In: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association vol. 118 Suppl 1 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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