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	621.	Determination of the Potential of Drug Candidates to Cause Severe Skin Disorders Using Computational Modeling. [electronic resource] by He, Yuye Chong, Frederica Hui Ting Lim, Junianti Lee, Rina Jia Tien Yap, Chun Wei Producer: 20160803 In: Molecular informatics vol. 32 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	622.	Structural Key Bit Occurrence Frequencies and Dependencies in PubChem and Their Effect on Similarity Searches. [electronic resource] by Chen, Nelson G Golovlev, Val Producer: 20160803 In: Molecular informatics vol. 32 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	623.	Self-Organizing Maps for In Silico Screening and Data Visualization. [electronic resource] by Digles, Daniela Ecker, Gerhard F Producer: 20160730 In: Molecular informatics vol. 30 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	624.	Toward an Optimal Approach for Variable Selection in Counter-Propagation Neural Networks: Modeling Protein-Tyrosine Kinase Inhibitory of Flavanoids Using Substituent Electronic Descriptors. [electronic resource] by Hemmateenejad, Bahram Mehdipour, Ahmadreza Deeb, Omar Sanchooli, Mahmood Miri, Ramin Producer: 20160730 In: Molecular informatics vol. 30 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	625.	Conformational Properties and Energetic Analysis of Aliskiren in Solution and Receptor Site. [electronic resource] by Politi, Aggeliki Leonis, Georgios Tzoupis, Haralambos Ntountaniotis, Dimitrios Papadopoulos, Manthos G Grdadolnik, Simona Golic Mavromoustakos, Thomas Producer: 20160730 In: Molecular informatics vol. 30 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	626.	Visual Interpretation of Kernel-Based Prediction Models. [electronic resource] by Hansen, Katja Baehrens, David Schroeter, Timon Rupp, Matthias Müller, Klaus-Robert Producer: 20160730 In: Molecular informatics vol. 30 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	627.	Compound Design by Fragment-Linking. [electronic resource] by Ichihara, Osamu Barker, John Law, Richard J Whittaker, Mark Producer: 20160730 In: Molecular informatics vol. 30 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	628.	Differential Virtual Screening (DVS) with Active and Inactive Molecular Models for Finding and Profiling GPCR Modulators: Case of the CCK1 Receptor. [electronic resource] by Diaz, Constantino Leplatois, Pascal Angelloz-Nicoud, Patricia Lecomte, Marinette Josse, Annick Delpech, Monique Pecceu, Florence Loison, Gérard Shire, David Pascal, Marc Ferrara, Pascual Ferran, Edgardo Producer: 20160730 In: Molecular informatics vol. 30 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	629.	In Silico Prediction of Caco-2 Cell Permeability by a Classification QSAR Approach. [electronic resource] by Pham The, Hai González-Álvarez, Isabel Bermejo, Marival Mangas Sanjuan, Victor Centelles, Inmaculada Garrigues, Teresa M Cabrera-Pérez, Miguel Ángel Producer: 20160730 In: Molecular informatics vol. 30 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	630.	Erratum: Multi-pH QSAR: A Method to Differentiate the Activity of Neutral and Ionized Species and Obtain True Correlations when Both Species are Involved. [electronic resource] by Scherrer, Robert A Leo, Albert J Producer: 20160730 In: Molecular informatics vol. 30 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	631.	Acceleration of Binding Site Comparisons by Graph Partitioning. [electronic resource] by Krotzky, Timo Klebe, Gerhard Producer: 20180116 In: Molecular informatics vol. 34 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	632.	Novel Uses of In Vitro Data to Develop Quantitative Biological Activity Relationship Models for in Vivo Carcinogenicity Prediction. [electronic resource] by Pradeep, Prachi Povinelli, Richard J Merrill, Stephen J Bozdag, Serdar Sem, Daniel S Producer: 20180116 In: Molecular informatics vol. 34 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	633.	GTM-Based QSAR Models and Their Applicability Domains. [electronic resource] by Gaspar, H A Baskin, I I Marcou, G Horvath, D Varnek, A Producer: 20180116 In: Molecular informatics vol. 34 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	634.	Integrative Modeling Strategies for Predicting Drug Toxicities at the eTOX Project. [electronic resource] by Sanz, Ferran Carrió, Pau López, Oriol Capoferri, Luigi Kooi, Derk P Vermeulen, Nico P E Geerke, Daan P Montanari, Floriane Ecker, Gerhard F Schwab, Christof H Kleinöder, Thomas Magdziarz, Tomasz Pastor, Manuel Producer: 20180116 In: Molecular informatics vol. 34 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	635.	Quality Assessment of Predicted Protein Models Using Energies Calculated by the Fragment Molecular Orbital Method. [electronic resource] by Simoncini, David Nakata, Hiroya Ogata, Koji Nakamura, Shinichiro Zhang, Kam Yj Producer: 20180116 In: Molecular informatics vol. 34 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	636.	Analysis of the Resistance of Hepatitis C Virus NS5B Polymerase Inhibitors via Docking and Molecular Dynamics Simulation. [electronic resource] by Uengwetwanit, Tanaporn Robaa, Dina Sippl, Wolfgang Producer: 20180116 In: Molecular informatics vol. 34 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	637.	Hit Expansion from Screening Data Based upon Conditional Probabilities of Activity Derived from SAR Matrices. [electronic resource] by Gupta-Ostermann, Disha Balfer, Jenny Bajorath, Jürgen Producer: 20180116 In: Molecular informatics vol. 34 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	638.	Determination of Meta-Parameters for Support Vector Machine Linear Combinations. [electronic resource] by Jasial, Swarit Balfer, Jenny Vogt, Martin Bajorath, Jürgen Producer: 20180116 In: Molecular informatics vol. 34 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	639.	A Combinational Strategy of Model Disturbance and Outlier Comparison to Define Applicability Domain in Quantitative Structural Activity Relationship. [electronic resource] by Yan, Jun Zhu, Wei-Wei Kong, Bo Lu, Hong-Bing Yun, Yong-Huan Huang, Jian-Hua Liang, Yi-Zeng Producer: 20160804 In: Molecular informatics vol. 33 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	640.	Theoretical Studies on Pyrazolo[3,4-d]pyrimidine Derivatives as Potent Dual c-Src/Abl Inhibitors Using 3D-QSAR and Docking Approaches. [electronic resource] by Zeng, Guo Hua Fang, Dan Qing Wu, Wen Juan Wang, Ju Ping Xie, Wen Guo Ma, Shao Jie Wu, Jing Heng Shen, Yong Producer: 20160804 In: Molecular informatics vol. 33 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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