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	961.	Virtual screening and synthesis of novel antitubercular agents through interaction-based pharmacophore and molecular docking studies. [electronic resource] by Bhattarai, Deepak Muddassar, Muhammad Jang, Jae Wan Hong, Seung Kon Kim, Eunice Eunkyeong Oh, Taegwon Cho, Sang-Nae Pae, Ae Nim Keum, Gyochang 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)
	962.	VibrioBase: A MALDI-TOF MS database for fast identification of Vibrio spp. that are potentially pathogenic in humans. [electronic resource] by Erler, René Wichels, Antje Heinemeyer, Ernst-August Hauk, Gerhard Hippelein, Martin Reyes, Nadja Torres Gerdts, Gunnar Producer: 20160120 In: Systematic and applied microbiology vol. 38 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	963.	Chromosome 19p in Alzheimer's disease: when genome meets transcriptome. [electronic resource] by Wang, Jiajia Feng, Xuemei Bai, Zhouxian Jin, Lee-Way Duan, Yong Lei, Hongxing Producer: 20140627 In: Journal of Alzheimer's disease : JAD vol. 38 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	964.	The Fragment Network: A Chemistry Recommendation Engine Built Using a Graph Database. [electronic resource] by Hall, Richard J Murray, Christopher W Verdonk, Marcel L 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)
	965.	Boosting compound-protein interaction prediction by deep learning. [electronic resource] by Tian, Kai Shao, Mingyu Wang, Yang Guan, Jihong Zhou, Shuigeng Producer: 20180117 In: Methods (San Diego, Calif.) vol. 110 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	966.	Consensus models to predict oral rat acute toxicity and validation on a dataset coming from the industrial context. [electronic resource] by Lunghini, F Marcou, G Azam, P Horvath, D Patoux, R Van Miert, E Varnek, A Producer: 20191216 In: SAR and QSAR in environmental research vol. 30 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	967.	Protein Phosphorylation Dynamics: Unexplored Because of Current Methodological Limitations: Dynamics of Processive Phosphorylation. [electronic resource] by Robichon, Alain Producer: 20210601 In: BioEssays : news and reviews in molecular, cellular and developmental biology vol. 42 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	968.	How can natural products serve as a viable source of lead compounds for the development of new/novel anti-malarials? [electronic resource] by Guantai, Eric Chibale, Kelly Producer: 20140828 In: Malaria journal vol. 10 Suppl 1 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	969.	Pharmacophore modeling, virtual screening, and molecular docking studies for discovery of novel Akt2 inhibitors. [electronic resource] by Fei, Jia Zhou, Lu Liu, Tao Tang, Xiang-Yang Producer: 20130712 In: International journal of medical sciences vol. 10 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	970.	Leveraging molecular datasets for biomarker-based clinical trial design in glioblastoma. [electronic resource] by Tanguturi, Shyam K Trippa, Lorenzo Ramkissoon, Shakti H Pelton, Kristine Knoff, David Sandak, David Lindeman, Neal I Ligon, Azra H Beroukhim, Rameen Parmigiani, Giovanni Wen, Patrick Y Ligon, Keith L Alexander, Brian M Producer: 20180509 In: Neuro-oncology vol. 19 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	971.	Quantitative structure-skin permeability relationships. [electronic resource] by Tsakovska, Ivanka Pajeva, Ilza Al Sharif, Merilin Alov, Petko Fioravanzo, Elena Kovarich, Simona Worth, Andrew P Richarz, Andrea-Nicole Yang, Chihae Mostrag-Szlichtyng, Aleksandra Cronin, Mark T D Producer: 20170724 In: Toxicology vol. 387 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	972.	The solid-state structure of the β-blocker metoprolol: a combined experimental and in silico investigation. [electronic resource] by Rossi, Patrizia Paoli, Paola Chelazzi, Laura Conti, Luca Bencini, Andrea Producer: 20190314 In: Acta crystallographica. Section C, Structural chemistry vol. 75 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	973.	Discovery of 9-phenylacridinediones as highly selective butyrylcholinesterase inhibitors through structure-based virtual screening. [electronic resource] by Joubert, Jacques Kapp, Erika Producer: 20210514 In: Bioorganic & medicinal chemistry letters vol. 30 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	974.	QSAR modeling with ETA indices for cytotoxicity and enzymatic activity of diverse chemicals. [electronic resource] by Seth, Arnab Ojha, Probir Kumar Roy, Kunal Producer: 20210405 In: Journal of hazardous materials vol. 394 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	975.	Integrative chemical-biological read-across approach for chemical hazard classification. [electronic resource] by Low, Yen Sedykh, Alexander Fourches, Denis Golbraikh, Alexander Whelan, Maurice Rusyn, Ivan Tropsha, Alexander Producer: 20140307 In: Chemical research in toxicology vol. 26 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	976.	New horizons in antimalarial drug discovery in the last decade by chemoinformatic approaches. [electronic resource] by Ambre, Premlata K Wavhale, Ravindra D Coutinho, Evans C Producer: 20150918 In: Combinatorial chemistry & high throughput screening vol. 18 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	977.	Maximum common substructure-based data fusion in similarity searching. [electronic resource] by Duesbury, Edmund Holliday, John Willett, Peter Producer: 20160229 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)
	978.	Assessment of the Acute and Chronic Health Hazards of Hydraulic Fracturing Fluids. [electronic resource] by Wattenberg, Elizabeth V Bielicki, Jeffrey M Suchomel, Ashley E Sweet, Jessica T Vold, Elizabeth M Ramachandran, Gurumurthy Producer: 20160429 In: Journal of occupational and environmental hygiene vol. 12 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	979.	Target prediction for an open access set of compounds active against Mycobacterium tuberculosis. [electronic resource] by Martínez-Jiménez, Francisco Papadatos, George Yang, Lun Wallace, Iain M Kumar, Vinod Pieper, Ursula Sali, Andrej Brown, James R Overington, John P Marti-Renom, Marc A Producer: 20140506 In: PLoS computational biology vol. 9 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	980.	Identification of novel PAD4 inhibitors based on a pharmacophore model derived from transition state coordinates. [electronic resource] by Wei, Yu Liu, Ruihua Liu, Cui Jin, Jin Li, Dongmei Lin, Jianping Producer: 20180221 In: Journal of molecular graphics & modelling vol. 72 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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