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	501.	Searching for bioactive conformations of drug-like ligands with current force fields: how good are we? [electronic resource] by Gürsoy, Oya Smieško, Martin 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)
	502.	eTOX ALLIES: an automated pipeLine for linear interaction energy-based simulations. [electronic resource] by Capoferri, Luigi van Dijk, Marc Rustenburg, Ariën S Wassenaar, Tsjerk A Kooi, Derk P Rifai, Eko A Vermeulen, Nico P E Geerke, Daan P Publication details: Journal of cheminformatics Nov 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)
	503.	An automated framework for QSAR model building. [electronic resource] by Kausar, Samina Falcao, Andre O Publication details: Journal of cheminformatics Jan 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)
	504.	BoBER: web interface to the base of bioisosterically exchangeable replacements. [electronic resource] by Lešnik, Samo Škrlj, Blaž Eržen, Nika Bren, Urban Gobec, Stanislav Konc, Janez Janežič, Dušanka Publication details: Journal of cheminformatics Dec 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)
	505.	A cheminformatics review of auxins as herbicides. [electronic resource] by Quareshy, Mussa Prusinska, Justyna Li, Jun Napier, Richard Producer: 20190204 In: Journal of experimental botany vol. 69 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	506.	Effects of using structured templates for recalling chemistry experiments. [electronic resource] by Willoughby, Cerys Logothetis, Thomas A Frey, Jeremy G Producer: 20160222 In: Journal of cheminformatics vol. 8 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	507.	DASPfind: new efficient method to predict drug-target interactions. [electronic resource] by Ba-Alawi, Wail Soufan, Othman Essack, Magbubah Kalnis, Panos Bajic, Vladimir B Producer: 20160317 In: Journal of cheminformatics vol. 8 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	508.	Bioalerts: a python library for the derivation of structural alerts from bioactivity and toxicity data sets. [electronic resource] by Cortes-Ciriano, Isidro Producer: 20160307 In: Journal of cheminformatics vol. 8 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	509.	Geomfinder: a multi-feature identifier of similar three-dimensional protein patterns: a ligand-independent approach. [electronic resource] by Núñez-Vivanco, Gabriel Valdés-Jiménez, Alejandro Besoaín, Felipe Reyes-Parada, Miguel Producer: 20160419 In: Journal of cheminformatics vol. 8 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	510.	High-quality and universal empirical atomic charges for chemoinformatics applications. [electronic resource] by Geidl, Stanislav Bouchal, Tomáš Raček, Tomáš Svobodová Vařeková, Radka Hejret, Václav Křenek, Aleš Abagyan, Ruben Koča, Jaroslav Producer: 20151204 In: Journal of cheminformatics vol. 7 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	511.	Bridging experiment and theory: a template for unifying NMR data and electronic structure calculations. [electronic resource] by Brown, David M L Cho, Herman de Jong, Wibe A Producer: 20160211 In: Journal of cheminformatics vol. 8 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	512.	The dye-sensitized solar cell database. [electronic resource] by Venkatraman, Vishwesh Raju, Rajesh Oikonomopoulos, Solon P Alsberg, Bjørn K 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)
	513.	KRDS: a web server for evaluating drug resistance mutations in kinases by molecular docking. [electronic resource] by Lee, Aeri Hong, Seungpyo Kim, Dongsup 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)
	514.	A novel interaction fingerprint derived from per atom score contributions: exhaustive evaluation of interaction fingerprint performance in docking based virtual screening. [electronic resource] by Jasper, Julia B Humbeck, Lina Brinkjost, Tobias Koch, Oliver Publication details: Journal of cheminformatics Mar 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)
	515.	Comment on "The power metric: a new statistically robust enrichment-type metric for virtual screening applications with early recovery capability". [electronic resource] by Šícho, M Voršilák, M Svozil, D Publication details: Journal of cheminformatics Mar 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)
	516.	HIVprotI: an integrated web based platform for prediction and design of HIV proteins inhibitors. [electronic resource] by Qureshi, Abid Rajput, Akanksha Kaur, Gazaldeep Kumar, Manoj Publication details: Journal of cheminformatics Mar 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)
	517.	OPERA models for predicting physicochemical properties and environmental fate endpoints. [electronic resource] by Mansouri, Kamel Grulke, Chris M Judson, Richard S Williams, Antony J Publication details: Journal of cheminformatics Mar 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)
	518.	PyBioMed: a python library for various molecular representations of chemicals, proteins and DNAs and their interactions. [electronic resource] by Dong, Jie Yao, Zhi-Jiang Zhang, Lin Luo, Feijun Lin, Qinlu Lu, Ai-Ping Chen, Alex F Cao, Dong-Sheng Publication details: Journal of cheminformatics Mar 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)
	519.	Molecular generative model based on conditional variational autoencoder for de novo molecular design. [electronic resource] by Lim, Jaechang Ryu, Seongok Kim, Jin Woo Kim, Woo Youn Publication details: Journal of cheminformatics Jul 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)
	520.	Machine learning for the prediction of molecular dipole moments obtained by density functional theory. [electronic resource] by Pereira, Florbela Aires-de-Sousa, João 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)

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