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	621.	Pharmacophore modeling for the identification of small-molecule inhibitors of TACE. [electronic resource] by Liu, Li-Juan Leung, Ka-Ho Lin, Sheng Chan, Daniel Shiu-Hin Susanti, Dewi Rao, Weidong Chan, Philip Wai Hong Ma, Dik-Lung Leung, Chung-Hang Producer: 20150916 In: Methods (San Diego, Calif.) vol. 71 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	622.	Modern approaches to accelerate discovery of new antischistosomal drugs. [electronic resource] by Neves, Bruno Junior Muratov, Eugene Machado, Renato Beilner Andrade, Carolina Horta Cravo, Pedro Vitor Lemos Producer: 20170529 In: Expert opinion on drug discovery vol. 11 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	623.	Software ion scan functions in analysis of glycomic and lipidomic MS/MS datasets. [electronic resource] by Haramija, Marko Producer: 20180425 In: Journal of mass spectrometry : JMS vol. 53 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	624.	Getting the most out of PubChem for virtual screening. [electronic resource] by Kim, Sunghwan Producer: 20170529 In: Expert opinion on drug discovery vol. 11 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	625.	In Silico Prediction of hPXR Activators Using Structure-Based Pharmacophore Modeling. [electronic resource] by Torimoto-Katori, Nao Huang, Ruili Kato, Harutoshi Ohashi, Rikiya Xia, Menghang Producer: 20180103 In: Journal of pharmaceutical sciences vol. 106 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	626.	Screening of the MMV and GSK open access chemical boxes using a viability assay developed against the kinetoplastid Crithidia fasciculata. [electronic resource] by Kipandula, Wakisa Young, Simon A MacNeill, Stuart A Smith, Terry K Producer: 20190114 In: Molecular and biochemical parasitology vol. 222 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	627.	Analysis of CH [electronic resource] by Gülsoy, Zeynep Sezginel, Kutay Berk Uzun, Alper Keskin, Seda Yıldırım, Ramazan Producer: 20191220 In: ACS combinatorial science vol. 21 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	628.	Enalos Suite: New Cheminformatics Platform for Drug Discovery and Computational Toxicology. [electronic resource] by Varsou, Dimitra-Danai Nikolakopoulos, Spyridon Tsoumanis, Andreas Melagraki, Georgia Afantitis, Antreas Producer: 20190225 In: Methods in molecular biology (Clifton, N.J.) vol. 1800 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	629.	B-SIDER: Computational Algorithm for the Design of Complementary β-Sheet Sequences. [electronic resource] by Yu, Tae-Geun Kim, Hak-Sung Choi, Yoonjoo Producer: 20200916 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)
	630.	Clustering a Chemical Inventory for Safety Assessment of Fragrance Ingredients: Identifying Read-Across Analogs to Address Data Gaps. [electronic resource] by Date, Mihir S O'Brien, Devin Botelho, Danielle J Schultz, Terry W Liebler, Daniel C Penning, Trevor M Salvito, Daniel T Producer: 20210701 In: Chemical research in toxicology vol. 33 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	631.	Accurate atom-mapping computation for biochemical reactions. [electronic resource] by Latendresse, Mario Malerich, Jeremiah P Travers, Mike Karp, Peter D Producer: 20130501 In: Journal of chemical information and modeling vol. 52 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	632.	A combined cheminformatics and computational approach for the prediction of anti-HIV small molecules. [electronic resource] by Poorinmohammad, Naghmeh Mohabatkar, Hassan Producer: 20151116 In: Current computer-aided drug design vol. 10 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	633.	Focused chemical libraries--design and enrichment: an example of protein-protein interaction chemical space. [electronic resource] by Zhang, Xu Betzi, Stéphane Morelli, Xavier Roche, Philippe Producer: 20150512 In: Future medicinal chemistry vol. 6 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	634.	SigMol: repertoire of quorum sensing signaling molecules in prokaryotes. [electronic resource] by Rajput, Akanksha Kaur, Karambir Kumar, Manoj Producer: 20160721 In: Nucleic acids research vol. 44 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	635.	CNS Physicochemical Property Space Shaped by a Diverse Set of Molecules with Experimentally Determined Exposure in the Mouse Brain. [electronic resource] by Rankovic, Zoran Producer: 20170905 In: Journal of medicinal chemistry vol. 60 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	636.	Modeling of the hERG K+ Channel Blockage Using Online Chemical Database and Modeling Environment (OCHEM). [electronic resource] by Li, Xiao Zhang, Yuan Li, Huanhuan Zhao, Yong 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)
	637.	Hepatotoxicity Prediction by Systems Biology Modeling of Disturbed Metabolic Pathways Using Gene Expression Data. [electronic resource] by López-Massaguer, Oriol Pastor, Manuel Sanz, Ferran Carbonell, Pablo Producer: 20190225 In: Methods in molecular biology (Clifton, N.J.) vol. 1800 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	638.	Dissecting Machine-Learning Prediction of Molecular Activity: Is an Applicability Domain Needed for Quantitative Structure-Activity Relationship Models Based on Deep Neural Networks? [electronic resource] by Liu, Ruifeng Wang, Hao Glover, Kyle P Feasel, Michael G Wallqvist, Anders Producer: 20191202 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)
	639.	The reactome pathway knowledgebase. [electronic resource] by Jassal, Bijay Matthews, Lisa Viteri, Guilherme Gong, Chuqiao Lorente, Pascual Fabregat, Antonio Sidiropoulos, Konstantinos Cook, Justin Gillespie, Marc Haw, Robin Loney, Fred May, Bruce Milacic, Marija Rothfels, Karen Sevilla, Cristoffer Shamovsky, Veronica Shorser, Solomon Varusai, Thawfeek Weiser, Joel Wu, Guanming Stein, Lincoln Hermjakob, Henning D'Eustachio, Peter Producer: 20200519 In: Nucleic acids research vol. 48 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	640.	RIFM fragrance ingredient safety assessment, hexyl isobutyrate, CAS Registry Number 2349-07-7. [electronic resource] by Api, A M 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: 20210203 In: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association vol. 138 Suppl 1 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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