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	241.	SimBoost: a read-across approach for predicting drug-target binding affinities using gradient boosting machines. [electronic resource] by He, Tong Heidemeyer, Marten Ban, Fuqiang Cherkasov, Artem Ester, Martin Publication details: Journal of cheminformatics Apr 2017 In: Journal of cheminformatics vol. 9 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	242.	Scaffold Hunter: a comprehensive visual analytics framework for drug discovery. [electronic resource] by Schäfer, Till Kriege, Nils Humbeck, Lina Klein, Karsten Koch, Oliver Mutzel, Petra Publication details: Journal of cheminformatics May 2017 In: Journal of cheminformatics vol. 9 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	243.	Software solutions for evaluation and visualization of laser ablation inductively coupled plasma mass spectrometry imaging (LA-ICP-MSI) data: a short overview. [electronic resource] by Weiskirchen, Ralf Weiskirchen, Sabine Kim, Philipp Winkler, Robert Publication details: Journal of cheminformatics Feb 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)
	244.	DeepChemStable: Chemical Stability Prediction with an Attention-Based Graph Convolution Network. [electronic resource] by Li, Xiuming Yan, Xin Gu, Qiong Zhou, Huihao Wu, Di Xu, Jun Producer: 20200507 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)
	245.	Statistical-based database fingerprint: chemical space dependent representation of compound databases. [electronic resource] by Sánchez-Cruz, Norberto Medina-Franco, José L Publication details: Journal of cheminformatics Nov 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)
	246.	Configurable web-services for biomedical document annotation. [electronic resource] by Matos, Sérgio Publication details: Journal of cheminformatics Dec 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)
	247.	Virtual Compound Libraries in Computer-Assisted Drug Discovery. [electronic resource] by van Hilten, Niek Chevillard, Florent Kolb, Peter Producer: 20200108 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)
	248.	BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification. [electronic resource] by Djoumbou-Feunang, Yannick Fiamoncini, Jarlei Gil-de-la-Fuente, Alberto Greiner, Russell Manach, Claudine Wishart, David S Publication details: Journal of cheminformatics Jan 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)
	249.	Ambit-SMIRKS: a software module for reaction representation, reaction search and structure transformation. [electronic resource] by Kochev, Nikolay Avramova, Svetlana Jeliazkova, Nina 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)
	250.	"MS-Ready" structures for non-targeted high-resolution mass spectrometry screening studies. [electronic resource] by McEachran, Andrew D Mansouri, Kamel Grulke, Chris Schymanski, Emma L Ruttkies, Christoph Williams, Antony J 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)
	251.	Finding the K best synthesis plans. [electronic resource] by Fagerberg, Rolf Flamm, Christoph Kianian, Rojin Merkle, Daniel Stadler, Peter F Publication details: Journal of cheminformatics Apr 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)
	252.	A confidence predictor for logD using conformal regression and a support-vector machine. [electronic resource] by Lapins, Maris Arvidsson, Staffan Lampa, Samuel Berg, Arvid Schaal, Wesley Alvarsson, Jonathan Spjuth, Ola Publication details: Journal of cheminformatics Apr 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)
	253.	ZINClick v.18: Expanding Chemical Space of 1,2,3-Triazoles. [electronic resource] by Levré, Doriana Arcisto, Chiara Mercalli, Valentina Massarotti, Alberto Producer: 20200615 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)
	254.	Rational Use of Heterogeneous Data in Quantitative Structure-Activity Relationship (QSAR) Modeling of Cyclooxygenase/Lipoxygenase Inhibitors. [electronic resource] by Lagunin, Alexey A Geronikaki, Athina Eleftheriou, Phaedra Pogodin, Pavel V Zakharov, Alexey V Producer: 20200108 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)
	255.	Mechanistic Reactivity Descriptors for the Prediction of Ames Mutagenicity of Primary Aromatic Amines. [electronic resource] by Kuhnke, Lara Ter Laak, Antonius Göller, Andreas H Producer: 20200108 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)
	256.	Chemoinformatics and structural bioinformatics in OCaml. [electronic resource] by Berenger, Francois Zhang, Kam Y J Yamanishi, Yoshihiro Publication details: Journal of cheminformatics Feb 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)
	257.	Predictive classification models and targets identification for betulin derivatives as Leishmania donovani inhibitors. [electronic resource] by Zhang, Yuezhou Xhaard, Henri Ghemtio, Leo 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)
	258.	Improved algorithms for quantifying the near symmetry of proteins: complete side chains analysis. [electronic resource] by Tuvi-Arad, Inbal Alon, Gil Publication details: Journal of cheminformatics Jun 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)
	259.	Named Entity Recognition and Normalization Applied to Large-Scale Information Extraction from the Materials Science Literature. [electronic resource] by Weston, L Tshitoyan, V Dagdelen, J Kononova, O Trewartha, A Persson, K A Ceder, G Jain, 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)
	260.	Comparing Molecular Patterns Using the Example of SMARTS: Theory and Algorithms. [electronic resource] by Schmidt, Robert Ehmki, Emanuel S R Ohm, Farina Ehrlich, Hans-Christian Mashychev, Andriy Rarey, Matthias 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)

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Your search returned 676 results.