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	181.	Unveiling new biological relationships using shared hits of chemical screening assay pairs. [electronic resource] by Liu, Xueping Campillos, Monica Producer: 20150115 In: Bioinformatics (Oxford, England) vol. 30 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	182.	Chemical data visualization and analysis with incremental generative topographic mapping: big data challenge. [electronic resource] by Gaspar, Héléna A Baskin, Igor I Marcou, Gilles Horvath, Dragos Varnek, Alexandre Producer: 20151019 In: Journal of chemical information and modeling vol. 55 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	183.	diXa: a data infrastructure for chemical safety assessment. [electronic resource] by Hendrickx, Diana M Aerts, Hugo J W L Caiment, Florian Clark, Dominic Ebbels, Timothy M D Evelo, Chris T Gmuender, Hans Hebels, Dennie G A J Herwig, Ralf Hescheler, Jürgen Jennen, Danyel G J Jetten, Marlon J A Kanterakis, Stathis Keun, Hector C Matser, Vera Overington, John P Pilicheva, Ekaterina Sarkans, Ugis Segura-Lepe, Marcelo P Sotiriadou, Isaia Wittenberger, Timo Wittwehr, Clemens Zanzi, Antonella Kleinjans, Jos C S Producer: 20150828 In: Bioinformatics (Oxford, England) vol. 31 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	184.	EDITORIAL: Chemodescriptor Based QSARs of Structurally Homogeneous Versus Heterogeneous Chemical Data Sets: Some Comments on the Congenericity Principle vis-à-vis Diversity Begets Diversity Principle. [electronic resource] by Basak, Subhash C Majumdar, Subhabrata Producer: 20170227 In: Current computer-aided drug design vol. 12 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	185.	A surface site interaction point methodology for macromolecules and huge molecular databases. [electronic resource] by Oliver, Antoni Hunter, Christopher A Prohens, Rafel Rosselló, Josep L Producer: 20181211 In: Journal of computational chemistry vol. 38 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	186.	Novel Method Proposing Chemical Structures with Desirable Profile of Activities Based on Chemical and Protein Spaces. [electronic resource] by Maeda, Iwao Hasegawa, Kiyoshi Kaneko, Hiromasa Funatsu, Kimito Producer: 20180713 In: Molecular informatics vol. 36 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	187.	Toward Accurate Conformational Energies of Smaller Peptides and Medium-Sized Macrocycles: MPCONF196 Benchmark Energy Data Set. [electronic resource] by Řezáč, Jan Bím, Daniel Gutten, Ondrej Rulíšek, Lubomír Producer: 20180426 In: Journal of chemical theory and computation vol. 14 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	188.	Probes &Drugs portal: an interactive, open data resource for chemical biology. [electronic resource] by Skuta, Ctibor Popr, Martin Muller, Tomas Jindrich, Jindrich Kahle, Michal Sedlak, David Svozil, Daniel Bartunek, Petr Producer: 20190514 In: Nature methods vol. 14 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	189.	Autophagic compound database: A resource connecting autophagy-modulating compounds, their potential targets and relevant diseases. [electronic resource] by Deng, Yiqi Zhu, Lingjuan Cai, Haoyang Wang, Guan Liu, Bo Producer: 20180626 In: Cell proliferation vol. 51 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	190.	The Use of the Immune Epitope Database to Study Autoimmune Epitope Data Related to Alopecia Areata. [electronic resource] by Sette, Alessandro Paul, Sinu Vaughan, Kerrie Peters, Bjoern Producer: 20160824 In: The journal of investigative dermatology. Symposium proceedings vol. 17 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	191.	Construction and Application of a Database for a Five-Dimensional Identification of Natural Compounds in Garcinia Species by Means of UPLC-ESI-TWIMS-TOF-MS: Introducing Gas Phase Polyphenol Conformer Drift Time Distribution Intensity Ratios. [electronic resource] by Stark, Timo D Ranner, Josef Stiglbauer, Benedikt Weiss, Patrick Stark, Sofie Balemba, Onesmo B Hofmann, Thomas Producer: 20190506 In: Journal of agricultural and food chemistry vol. 67 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	192.	Data Visualization, Regression, Applicability Domains and Inverse Analysis Based on Generative Topographic Mapping. [electronic resource] by Kaneko, Hiromasa Producer: 20190529 In: Molecular informatics vol. 38 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	193.	CapsCarcino: A novel sparse data deep learning tool for predicting carcinogens. [electronic resource] by Wang, Yi-Wei Huang, Lei Jiang, Si-Wen Li, Kan Zou, Jun Yang, Sheng-Yong Producer: 20200210 In: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association vol. 135 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	194.	ChEMBLSpace--a graphical explorer of the chemogenomic space covered by the ChEMBL database. [electronic resource] by Fechner, Nikolas Papadatos, George Evans, David Morphy, John Richard Brewerton, Suzanne Clare Thorner, David Bodkin, Michael Producer: 20130812 In: Bioinformatics (Oxford, England) vol. 29 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	195.	Accelerating two algorithms for large-scale compound selection on GPUs. [electronic resource] by Liao, Quan Wang, Jibo Watson, Ian A Producer: 20140401 In: Journal of chemical information and modeling vol. 51 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	196.	Multivariate Analysis of Multiple Datasets: a Practical Guide for Chemical Ecology. [electronic resource] by Hervé, Maxime R Nicolè, Florence Lê Cao, Kim-Anh Producer: 20180411 In: Journal of chemical ecology vol. 44 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	197.	Cheminformatics in Drug Discovery, an Industrial Perspective. [electronic resource] by Chen, Hongming Kogej, Thierry Engkvist, Ola Producer: 20190315 In: Molecular informatics vol. 37 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	198.	Revitalizing the drug pipeline: AntibioticDB, an open access database to aid antibacterial research and development. [electronic resource] by Farrell, L J Lo, R Wanford, J J Jenkins, A Maxwell, A Piddock, L J V Producer: 20191009 In: The Journal of antimicrobial chemotherapy vol. 73 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	199.	RIFM fragrance ingredient safety assessment, 1α,5α-dihydroguaiol, CAS Registry Number 3526-75-8. [electronic resource] by Api, A M Belmonte, F Belsito, D Biserta, S Botelho, D Bruze, M Burton, G A Buschmann, J Cancellieri, M A Dagli, M L Date, M Dekant, W Deodhar, C Fryer, A D Gadhia, S Jones, L Joshi, K Lapczynski, A Lavelle, M Liebler, D C Na, M O'Brien, D Patel, A Penning, T M Ritacco, G Rodriguez-Ropero, F Romine, J Sadekar, N Salvito, D Schultz, T W Siddiqi, F Sipes, I G Sullivan, G Thakkar, Y Tokura, Y Tsang, S Producer: 20200224 In: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association vol. 134 Suppl 2 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	200.	RIFM fragrance ingredient safety assessment, butyl alcohol, CAS Registry Number 71-36-3. [electronic resource] by Api, A M Belmonte, F Belsito, D Biserta, S Botelho, D Bruze, M Burton, G A Buschmann, J Cancellieri, M A Dagli, M L Date, M Dekant, W Deodhar, C Fryer, A D Gadhia, S Jones, L Joshi, K Lapczynski, A Lavelle, M Liebler, D C Na, M O'Brien, D Patel, A Penning, T M Ritacco, G Rodriguez-Ropero, F Romine, J Sadekar, N Salvito, D Schultz, T W Sipes, I G Sullivan, G Thakkar, Y Tokura, Y Tsang, S Producer: 20200224 In: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association vol. 134 Suppl 2 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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