Search results for "chemoinformatics"

Hits ?▲	Authors	Title	Venue	Year	Link	Author keywords
239	Peter Willett 0002	Chemoinformatics: an application domain for information retrieval techniques.	SIGIR	2004	DBLP DOI BibTeX RDF	substructure searching, relevance feedback, data fusion, similarity searching, chemistry, virtual screening, molecules, cluster hypothesis, chemoinformatics
93	Nathan Brown	Chemoinformatics - an introduction for computer scientists.	ACM Comput. Surv.	2009	DBLP DOI BibTeX RDF	molecular modeling, drug discovery, docking, QSAR, Chemoinformatics, chemometrics
65	Fabrice Colas, Ingrid Meulenbelt, Jeanine J. Houwing-Duistermaat, Margreet Kloppenburg, Iain Watt, Stephanie M. van Rooden, Martine Visser, Johan Marinus, Edward O. Cannon, Andreas Bender 0002, Jacobus J. van Hilten, P. Eline Slagboom, Joost N. Kok	A Scenario Implementation in Rfor SubtypeDiscoveryExamplified on Chemoinformatics Data.	ISoLA	2008	DBLP DOI BibTeX RDF
44	Ilkka Havukkala, Lubica Benuskova, Shaoning Pang, Vishal Jain, Rene Kroon, Nikola K. Kasabov	Image and Fractal Information Processing for Large-Scale Chemoinformatics, Genomics Analyses and Pattern Discovery.	PRIB	2006	DBLP DOI BibTeX RDF
27	Shereena M. Arif, Jérôme Hert, John D. Holliday, Nurul Malim, Peter Willett 0002	Enhancing the Effectiveness of Fingerprint-Based Virtual Screening: Use of Turbo Similarity Searching and of Fragment Frequencies of Occurrence.	PRIB	2009	DBLP DOI BibTeX RDF	Fragment substructure, Turbo similarity searching, Similarity measure, Fingerprint, Similarity searching, Virtual screening, Weighting scheme, Chemoinformatics
27	Roberto Therón, Esther del Olmo, David Díaz, Miguel Vaquero, José Francisco Adserias, José Luis López-Pérez	NATPRO-C13 - An Interactive Tool for the Structural Elucidation of Natural Compounds.	Innovations in Hybrid Intelligent Systems	2008	DBLP DOI BibTeX RDF	structural elucidation, 13C NMR spectral database, natural compounds, chemoinformatics, SMILES
27	Hiroto Saigo, Nicole Krämer 0002, Koji Tsuda	Partial least squares regression for graph mining.	KDD	2008	DBLP DOI BibTeX RDF	graph boosting, partial least squares regression, graph mining, chemoinformatics
27	Jehan Zeb Shah, Naomie Salim	A Soft Hierarchical Algorithm for the Clustering of Multiple Bioactive Chemical Compounds.	BIRD	2007	DBLP DOI BibTeX RDF	chemical information systems, bioinformatics, cluster analysis, fuzzy c-means, chemoinformatics
25	Sesik Kang, Minsu Ju, Junghoon Kim	The Extraction of Metal Contaminants Using Supercritical Carbon Dioxide.	Int. J. Chemoinformatics Chem. Eng.	2018	DBLP DOI BibTeX RDF
25	Lwazi Ngubevana	Process Synthesis and the G-H Space for Analysing and Optimising Biomass Gasification.	Int. J. Chemoinformatics Chem. Eng.	2018	DBLP DOI BibTeX RDF
25	Fariba Saeedi, Arash Montazeri, Yaser Bahari, Malihe Pishvaee, Mohammad Ranjbar	Synthesis and Characterization of Chitosan-Poly Vinyl Alcohol-Graphene Oxide Nanocomposites.	Int. J. Chemoinformatics Chem. Eng.	2018	DBLP DOI BibTeX RDF
25	Yonghe Zhang	Covalent Radii and New Applications.	Int. J. Chemoinformatics Chem. Eng.	2018	DBLP DOI BibTeX RDF
25	Gennadiy Vladimirovich Zhizhin	Systematics of Anomalies in the Filling of Electron Orbitals of Chemical Elements.	Int. J. Chemoinformatics Chem. Eng.	2017	DBLP DOI BibTeX RDF
25	Mohamad Ali Dehghan Tafti, Ahad Mottaghitalab	Renewable Energy Consumption and its Impact on Economic Growth of OPEC Members.	Int. J. Chemoinformatics Chem. Eng.	2017	DBLP DOI BibTeX RDF
25	Shayan Seyedin, Shima Maghsoodloo, Vahid Mottaghitalab	A Quantitative Study on Simultaneous Effects of Governing Parameters in Electrospinning of Nanofibers using Modified Neural Network using Genetic Algorithm.	Int. J. Chemoinformatics Chem. Eng.	2017	DBLP DOI BibTeX RDF
25	Ali Rahmouni, Moufida Touhami, Tahar Benaissa	Fukui Indices as QSAR Model Descriptors: The Case of the Anti-HIV Activity of 1-2-[(Hydroxyethoxy) Methyl]-6-(Phenylthio) Thymine Derivatives.	Int. J. Chemoinformatics Chem. Eng.	2017	DBLP DOI BibTeX RDF
25	Arash Montazeri, Mojdeh Karjibani	Preparation and Characterization of Chitosan - Double Walled Carbon Nanotubes Hydrogels.	Int. J. Chemoinformatics Chem. Eng.	2017	DBLP DOI BibTeX RDF
25	Arash Montazeri, Majid Chitsazzadeh, Roksana Azad, Dorsa Madah	The Dispersion Effect of Carbon Nanotubes on the Viscoelastic Properties of Epoxy by Perez Model.	Int. J. Chemoinformatics Chem. Eng.	2017	DBLP DOI BibTeX RDF
25	Mohammad Hassan Loghmani	Various Rate Law Orders Through Hydrolysis of Sodium Borohydride Over Co-M-Zr-B (M= Cr, Mo and W) Nano Catalyst.	Int. J. Chemoinformatics Chem. Eng.	2017	DBLP DOI BibTeX RDF
25	Matoore Lamani	Rice Straw Extracted Cellulose Biocompatible Nanofiber.	Int. J. Chemoinformatics Chem. Eng.	2017	DBLP DOI BibTeX RDF
25	Shima Maghsoodlou, Sulmaz Poreskandar	Controlling Electrospinning Jet Using Microscopic Model for Ideal Tissue Engineering Scaffolds.	Int. J. Chemoinformatics Chem. Eng.	2016	DBLP DOI BibTeX RDF
25	Shima Maghsoodlou, Sulmaz Poreskandar	An Investigation onto the Importance of Dimensionless Analysis in the Modeling of Electrospinning.	Int. J. Chemoinformatics Chem. Eng.	2016	DBLP DOI BibTeX RDF
25	Mohammad Ali Salehi, Masomeh Jahani Kadusarai, Mojtaba Akbari Dogolsar	Capability of Bacterial Cellulose Membrane in Release of Doxycycline.	Int. J. Chemoinformatics Chem. Eng.	2016	DBLP DOI BibTeX RDF
25	Mohammad Ali Salehi, Samaneh Poursaman	The Impact of Electrostatic Forces on the Dynamic and Heat Transfer Coefficient of Single Bubble Rising: Electrostatic Forces Effect on the Dynamic of Single Bubble Rising by CFD.	Int. J. Chemoinformatics Chem. Eng.	2016	DBLP DOI BibTeX RDF
25	Gennadiy Vladimirovich Zhizhin	The Structure, Topological, and Functional Dimension of Biomolecules.	Int. J. Chemoinformatics Chem. Eng.	2016	DBLP DOI BibTeX RDF
25	Fatemeh Safari, Arjomand Mehrabani-Zeinabad	Modeling, Simulation, and Thermally Optimization of Thermally-Coupled Distillation Columns.	Int. J. Chemoinformatics Chem. Eng.	2016	DBLP DOI BibTeX RDF
25	Mohammad Ali Salehi, Babak Namazi	Numerical Simulation of Single Droplet Hydrodynamics Affected by Electrostatic Forces with the Aid of CFD: CFD Simulation of Single Droplet Hydrodynamics.	Int. J. Chemoinformatics Chem. Eng.	2016	DBLP DOI BibTeX RDF
25	Ahmed Hadjadj, Seghir Maamir	Laminar Mixed Convection in Two Concentric Vertical Cylinders.	Int. J. Chemoinformatics Chem. Eng.	2016	DBLP DOI BibTeX RDF
25	Ali Akbar Jamali, Shahrokh Shahhosseini, Yaghoub Behjat	A Novel Method for Evaluation of the Flow Field Effects on Mean Drop Size in a Multiphase CFB.	Int. J. Chemoinformatics Chem. Eng.	2015	DBLP DOI BibTeX RDF
25	Pratap R. Patnaik	Noise-Induced Stability Analysis of a Capillary Flow Microreactor with Mixing by Radial Diffusion of Laminar Flow Profiles.	Int. J. Chemoinformatics Chem. Eng.	2015	DBLP DOI BibTeX RDF
25	Allahyar Daghbandan, Seyed Mahdi Chalik	The Prediction of the Performance of an Oil Reservoir by Proxy Model: A Case Study.	Int. J. Chemoinformatics Chem. Eng.	2015	DBLP DOI BibTeX RDF
25	Tanmoy Chakraborty 0004, Seema Dhail	Theoretical Study of Lamivudine Derivatives Invoking DFT based Descriptors.	Int. J. Chemoinformatics Chem. Eng.	2015	DBLP DOI BibTeX RDF
25	Gholam Khayati, Morteza Barati	The Treatment of Cheese Whey Wastewater by Waste Activated Sludge and Optimization of Treatment Conditions with Response Surface Methodology.	Int. J. Chemoinformatics Chem. Eng.	2015	DBLP DOI BibTeX RDF
25	Shyantani Maiti, Sanjay Ram, Somnath Pal	Extension of Ugi's Scheme for Model-Driven Classification of Chemical Reactions.	Int. J. Chemoinformatics Chem. Eng.	2015	DBLP DOI BibTeX RDF
25	Pratap R. Patnaik	Indications of Spontaneous Chaos in the Chemotaxis of E. coli under Noise-Induced Parametric Perturbations.	Int. J. Chemoinformatics Chem. Eng.	2015	DBLP DOI BibTeX RDF
25	Mamta Dubey, Mumtaj Shah	Modeling of Photo Catalytic Degradation of Chloramphenicol using Full Factorial Design.	Int. J. Chemoinformatics Chem. Eng.	2015	DBLP DOI BibTeX RDF
25	Sourav Mandal 0003, Somnath Pal	A Three-Pass Algorithm for Generation of BE-Matrices from IUPAC Names.	Int. J. Chemoinformatics Chem. Eng.	2013	DBLP DOI BibTeX RDF
25	Akhundov Mohammed B., Sadayev Azber Sh.	Long Destruction of Structurally Damaged Composite Pipe.	Int. J. Chemoinformatics Chem. Eng.	2013	DBLP DOI BibTeX RDF
25	Sumanta Nayek, Suprakash Roy, Suvanka Dutta, Rajnarayan Saha, Tanmoy Chakraborty 0004	Dynamics of Metal Distribution in Cultivated Soil and Vegetables in Vicinity to Industrial Deposition: An Inference to Chemical Contamination of Food Chain.	Int. J. Chemoinformatics Chem. Eng.	2013	DBLP DOI BibTeX RDF
25	M. Akbarizadeh, Allahyar Daghbandan, M. Yaghoobi	Modeling and Optimization of Poly Electrolyte Dosage in Water Treatment Process by GMDH Type- NN and MOGA.	Int. J. Chemoinformatics Chem. Eng.	2013	DBLP DOI BibTeX RDF
25	M. Mirnezhad, Reza Ansari, H. Rouhi, Mahdi Faghihnasiri	Graphene-Based Sensors for Monitoring Strain: A First-Principles Density Functional Theory Analysis.	Int. J. Chemoinformatics Chem. Eng.	2013	DBLP DOI BibTeX RDF
25	Punchithaya K. Sripathi, K. M. Balakrishna	K-Shell X-Ray Fluorescence Studies of Some Elements in the Atomic Number Range 26 = Z = 70.	Int. J. Chemoinformatics Chem. Eng.	2013	DBLP DOI BibTeX RDF
25	Reda Mohamed Hamou, Abdelmalek Amine, Ali Rahmouni, Ahmed Chaouki Lokbani, Michel Simonet	Modeling of Inclusion by Genetic Algorithms: Application to the Beta-Cyclodextrin and Triphenylphosphine.	Int. J. Chemoinformatics Chem. Eng.	2013	DBLP DOI BibTeX RDF
25	Hossein Ghanadzadeh, Shahin Asan, Milad Sangashekan	Liquid-Liquid Equilibrium of the Ternary System Water/Formic Acid/1-Pentanol at T= 308.2 K.	Int. J. Chemoinformatics Chem. Eng.	2013	DBLP DOI BibTeX RDF
25	Ahad Ghaemi, Mehdi Maghsudi, Fatemeh Hanifpour, Mohammad Samadfam	Preparation of a Uranium Conversion Plant's Nuclear Waste for Final Disposal by Means of Magnetically Assisted Chemical Separation.	Int. J. Chemoinformatics Chem. Eng.	2013	DBLP DOI BibTeX RDF
25	Gabil G. Aliyev	Physical-Mechanical Model of Fibrous Polymerized Bar Deformation at the Neck Zone.	Int. J. Chemoinformatics Chem. Eng.	2013	DBLP DOI BibTeX RDF
25	Francisco Torrens, Gloria Castellano	Molecular Classification of 5-Amino-2-Aroylquinolines and 4-Aroyl-6, 7, 8-Trimethoxyquinolines as Highly Potent Tubulin Polymerization Inhibitors.	Int. J. Chemoinformatics Chem. Eng.	2013	DBLP DOI BibTeX RDF
25	Miguel Espinosa López, Vincenzo La Franca Pitarresi, Salvador Sayas Valero, Jorge Gálvez, Ramón García-Domenech	Application of Molecular Topology to the Prediction of the Reaction Yield and Anticancer Activity of Imidazole and Guanidine Derivatives.	Int. J. Chemoinformatics Chem. Eng.	2013	DBLP DOI BibTeX RDF
25	Nadir Mamed og. Abdullayev, Faig Bakhman Ogli Naghiyev, Nasrulla Zeynal og. Jalilov, Nazim Rza og Memmedov, Ilaha Telman q. Mamedova	Influence of γ-Radiation on Optical and Electric Properties of 90Bi2Te3-10Bi2Se3 Doped Films of P-and N-Types Conductivity.	Int. J. Chemoinformatics Chem. Eng.	2013	DBLP DOI BibTeX RDF
25	Hossein Ghanadzadeh, Milad Sangashekan, Shahin Asan	(Liquid + Liquid) Equilibrium for Ternary System of (Water + Phenol + Cyclohexane) at T = 298.2 K.	Int. J. Chemoinformatics Chem. Eng.	2013	DBLP DOI BibTeX RDF
25	Nelly L. Jorge, Alfonso Hernández-Laguna, Eduardo A. Castro	Some Recent Developments on the Synthesis, Chemical Reactivity, and Theoretical Studies of Tetroxanes.	Int. J. Chemoinformatics Chem. Eng.	2013	DBLP DOI BibTeX RDF
25	Pratap R. Patnaik	Restoration of Coherent Population Movement from Noise-Induced Chaos in the Chemotaxis of E. Coli: A Fractal Interpretation.	Int. J. Chemoinformatics Chem. Eng.	2013	DBLP DOI BibTeX RDF
25	Sedigheh Salehi, Vasyl Ryukhtin, Petr Lukas, Omer Van der Biest, Jef Vleugels	Two-D Analysis of the Thermo-Mechanical Properties of ZrO2-Based Composites.	Int. J. Chemoinformatics Chem. Eng.	2012	DBLP DOI BibTeX RDF
25	Gerardo M. Casañola-Martín, Mahmud Tareq Hassan Khan, Huong Le-Thi-Thu, Yovani Marrero-Ponce, Ramón García-Domenech, Francisco Torrens, Antonio Rescigno	Retrained Classification of Tyrosinase Inhibitors and "In Silico" Potency Estimation by Using Atom-Type Linear Indices: A Powerful Tool for Speed up the Discovery of Leads.	Int. J. Chemoinformatics Chem. Eng.	2012	DBLP DOI BibTeX RDF
25	María G. Andino, Mariela I. Profeta, Jorge M. Romero, Nelly L. Jorge, Eduardo A. Castro	Theoretical Studies on the Structure and Spectroscopic Properties of 2, 4-D (2, 4-Diclorofenoxiacetic Acid).	Int. J. Chemoinformatics Chem. Eng.	2012	DBLP DOI BibTeX RDF
25	Gabil G. Aliyev	Experimental-Theoretical Method for Defining Physical-Mechanical Properties of Polymer Materials with Regard to Change of Their Physical-Chemical Properties.	Int. J. Chemoinformatics Chem. Eng.	2012	DBLP DOI BibTeX RDF
25	Faig Bakhman Ogli Naghiyev	Modelling Liquid Flow Through Carbon Nanotubes.	Int. J. Chemoinformatics Chem. Eng.	2012	DBLP DOI BibTeX RDF
25	John D. Holliday, Peter Willett 0002, Hua Xiang	Interactions Between Weighting Scheme and Similarity Coefficient in Similarity-Based Virtual Screening.	Int. J. Chemoinformatics Chem. Eng.	2012	DBLP DOI BibTeX RDF
25	Sanjay Ram, Somnath Pal	An Efficient Algorithm for Automating Classification of Chemical Reactions into Classes in Ugi's Reaction Scheme.	Int. J. Chemoinformatics Chem. Eng.	2012	DBLP DOI BibTeX RDF
25	Rafael Yusif Amenzadeh, Akperli Reyhan Sayyad, Faig Bakhman Ogli Naghiyev	Wavy Motion of Viscous Bubbly Liquid in Tubes of Orthotropic Material.	Int. J. Chemoinformatics Chem. Eng.	2012	DBLP DOI BibTeX RDF
25	Francisco Torrens, Gloria Castellano	Bundlet Model for Single-Wall Carbon Nanotubes, Nanocones and Nanohorns.	Int. J. Chemoinformatics Chem. Eng.	2012	DBLP DOI BibTeX RDF
25	Francisco Torrens, Gloria Castellano	Using Chemical Structural Indicators for Periodic Classification of Local Anaesthetics.	Int. J. Chemoinformatics Chem. Eng.	2011	DBLP DOI BibTeX RDF
25	Damian Jose Marino, E. A. Castro, L. Massolo, A. Mueller, O. Herbarth, A. E. Ronco	Characterization of Polycyclic Aromatic Hydrocarbon Profiles by Multivariate Statistical Analysis.	Int. J. Chemoinformatics Chem. Eng.	2011	DBLP DOI BibTeX RDF
25	Jorge Gálvez, Miriam Parreño, Jordi Pla, Jaime Sánchez 0001, María Gálvez-Llompart, Sergio Navarro 0002, Ramón García-Domenech	Application of Molecular Topology to the Prediction of Water Quality Indices of Alkylphenol Pollutants.	Int. J. Chemoinformatics Chem. Eng.	2011	DBLP DOI BibTeX RDF
25	Kaveh Hariri Asli, Faig Bakhman Ogli Naghiyev, Soltan Ali Ogli Aliyev, Hoosein Hariri Asli	Modeling of Fluid Interaction Produced by Water Hammer.	Int. J. Chemoinformatics Chem. Eng.	2011	DBLP DOI BibTeX RDF
25	Abdelmalek Amine, Zakaria Elberrichi, Michel Simonet, Ali Rahmouni	A Hybrid Approach Based on Self-Organizing Neural Networks and the K-Nearest Neighbors Method to Study Molecular Similarity.	Int. J. Chemoinformatics Chem. Eng.	2011	DBLP DOI BibTeX RDF
25	Mihai V. Putz, Ana-Maria Putz	Logistic vs. W-Lambert Information in Quantum Modeling of Enzyme Kinetics.	Int. J. Chemoinformatics Chem. Eng.	2011	DBLP DOI BibTeX RDF
25	Mariela I. Profeta, J. R. Romero, L. A. C. Leiva, Nelly L. Jorge, M. E. Gomez Vara, Eduardo A. Castro	Solvent Effect of Oxygen in the Thermolisys Decomposition of the Acetone Diperoxide.	Int. J. Chemoinformatics Chem. Eng.	2011	DBLP DOI BibTeX RDF
25	Alexei N. Pankratov, Nikolay A. Bychkov, Olga M. Tsivileva	Hydrogen-Bonded Interactions in the Systems L-Cysteine - H2SeO3 and L-Cysteine -H2SeO4: A DFT Study.	Int. J. Chemoinformatics Chem. Eng.	2011	DBLP DOI BibTeX RDF
25	Tanmoy Chakraborty 0001, Dulal C. Ghosh	Correlation of the Drug Activities of Some Anti-Tubercular Chalcone Derivatives in Terms of the Quantum Mechanical Reactivity Descriptors.	Int. J. Chemoinformatics Chem. Eng.	2011	DBLP DOI BibTeX RDF
25	Ashutosh Kumar Gupta 0002, Arindam Chakraborty, Santanab Giri, Venkatesan Subramanian 0001, Pratim Kumar Chattaraj	Toxicity of Halogen, Sulfur and Chlorinated Aromatic Compounds: A Quantitative-Structure-Toxicity-Relationship (QSTR).	Int. J. Chemoinformatics Chem. Eng.	2011	DBLP DOI BibTeX RDF
25	Lionello Pogliani	Graph-Theoretical Indices based on Simple, General and Complete Graphs.	Int. J. Chemoinformatics Chem. Eng.	2011	DBLP DOI BibTeX RDF
25	Shahram Arbab, A. Zeinolebadi, Parviz Noorpanah	Exploring the Thermodynamic Aspects of Structure Formation During Wet-Spinning of Polyacrylonitrile Fibres.	Int. J. Chemoinformatics Chem. Eng.	2011	DBLP DOI BibTeX RDF
23	Essam H. Houssein, Mosa E. Hosney, Diego Oliva, Eman M. G. Younis, Abdelmgeid A. Ali, Waleed M. Mohamed	An efficient discrete rat swarm optimizer for global optimization and feature selection in chemoinformatics.	Knowl. Based Syst.	2023	DBLP DOI BibTeX RDF
23	Raquel Rodríguez-Pérez, Jürgen Bajorath	Evolution of Support Vector Machine and Regression Modeling in Chemoinformatics and Drug Discovery.	J. Comput. Aided Mol. Des.	2022	DBLP DOI BibTeX RDF
23	James Young	Literature Review: Graph Kernels in Chemoinformatics.	CoRR	2022	DBLP DOI BibTeX RDF
23	Peter Willett 0002	Commentary: the first twelve years of the Journal of chemoinformatics.	J. Cheminformatics	2022	DBLP DOI BibTeX RDF
23	Jürgen Bajorath, Ana L. Chávez-Hernández, Miquel Duran-Frigola, Eli Fernández-de Gortari, Johann Gasteiger, Edgar López-López, Gerald M. Maggiora, José L. Medina-Franco, Oscar Méndez-Lucio, Jordi Mestres, Ramón Alain Miranda-Quintana, Tudor I. Oprea, Fabien Plisson, Fernando D. Prieto-Martínez, Raquel Rodríguez-Pérez, Paola Rondón-Villarreal, Fernanda I. Saldívar-González, Norberto Sánchez-Cruz, Marilia Valli	Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds.	J. Cheminformatics	2022	DBLP DOI BibTeX RDF
23	Lulu Zheng, Bin Zhu, Zengrui Wu, Fang Liang, Minghuang Hong, Guixia Liu, Weihua Li 0005, Guobin Ren, Yun Tang 0001	SMINBR: An Integrated Network and Chemoinformatics Tool Specialized for Prediction of Two-Component Crystal Formation.	J. Chem. Inf. Model.	2021	DBLP DOI BibTeX RDF
23	K. Balaji, K. Lavanya, Mary A. Geetha 0001	Machine learning algorithm for clustering of heart disease and chemoinformatics datasets.	Comput. Chem. Eng.	2020	DBLP DOI BibTeX RDF
23	Wenxi Zhao, Dmitriy Korobskiy, Shreya Chandrasekharan, Kenneth M. Merz Jr., George Chacko	Converging Interests: Chemoinformatics, History, and Bibliometrics.	J. Chem. Inf. Model.	2020	DBLP DOI BibTeX RDF
23	Devendra K. Dhaked, Wolf-Dietrich Ihlenfeldt, Hitesh Patel, Victorien Delannée, Marc C. Nicklaus	Toward a Comprehensive Treatment of Tautomerism in Chemoinformatics Including in InChI V2.	J. Chem. Inf. Model.	2020	DBLP DOI BibTeX RDF
23	Dragos Horvath, Gilles Marcou, Alexandre Varnek	"Big Data" Fast Chemoinformatics Model to Predict Generalized Born Radius and Solvent Accessibility as a Function of Geometry.	J. Chem. Inf. Model.	2020	DBLP DOI BibTeX RDF
23	Fernanda I. Saldívar-González, C. Sebastian Huerta-García, José L. Medina-Franco	Chemoinformatics-based enumeration of chemical libraries: a tutorial.	J. Cheminformatics	2020	DBLP DOI BibTeX RDF
23	Igor V. Tetko, Ola Engkvist	From Big Data to Artificial Intelligence: chemoinformatics meets new challenges.	J. Cheminformatics	2020	DBLP DOI BibTeX RDF
23	Shrooq A. Alsenan, Isra Al-Turaiki, Alaaeldin M. Hafez	Chemoinformatics for Data Scientists: an Overview.	iiWAS	2020	DBLP DOI BibTeX RDF
23	Jaroslaw Polanski	Chemoinformatics: From Chemical Art to Chemistry in Silico.	Encyclopedia of Bioinformatics and Computational Biology (2)	2019	DBLP DOI BibTeX RDF
23	Francois Berenger, Kam Y. J. Zhang, Yoshihiro Yamanishi	Chemoinformatics and structural bioinformatics in OCaml.	J. Cheminformatics	2019	DBLP DOI BibTeX RDF
23	Gregor Urban, Niranjan Subrahmanya, Pierre Baldi	Inner and Outer Recursive Neural Networks for Chemoinformatics Applications.	J. Chem. Inf. Model.	2018	DBLP DOI BibTeX RDF
23	Ming Hao, Stephen H. Bryant, Yanli Wang	A new chemoinformatics approach with improved strategies for effective predictions of potential drugs.	J. Cheminformatics	2018	DBLP DOI BibTeX RDF
23	Pierre-Anthony Grenier, Luc Brun, Didier Villemin	Chemoinformatics and stereoisomerism: A stereo graph kernel together with three new extensions.	Pattern Recognit. Lett.	2017	DBLP DOI BibTeX RDF
23	Chen Jiang, Xi Jin	Quick Way to Port Existing C/C++ Chemoinformatics Toolkits to the Web Using Emscripten.	J. Chem. Inf. Model.	2017	DBLP DOI BibTeX RDF
23	Andrea Johnston, Rajni Bhardwaj-Miglani, Rajesh Gurung, Antony D. Vassileiou, Alastair J. Florence, Blair F. Johnston	Combined Chemoinformatics Approach to Solvent Library Design Using clusterSim and Multidimensional Scaling.	J. Chem. Inf. Model.	2017	DBLP DOI BibTeX RDF
23	Zengrui Wu, Feixiong Cheng, Jie Li, Weihua Li 0005, Guixia Liu, Yun Tang 0001	SDTNBI: an integrated network and chemoinformatics tool for systematic prediction of drug-target interactions and drug repositioning.	Briefings Bioinform.	2017	DBLP DOI BibTeX RDF
23	Mouhamadou Bamba Kane	Extraction et sélection de motifs émergents minimaux : application à la chémoinformatique. (Extraction and selection of minimal emerging patterns : application to chemoinformatics).		2017	RDF
23	Akshay Jain 0002	Deep Learning in Chemoinformatics using Tensor Flow.		2017	RDF
23	Laura Guasch, Waruna Yapamudiyansel, Megan L. Peach, James A. Kelley, Joseph J. Barchi, Marc C. Nicklaus	Experimental and Chemoinformatics Study of Tautomerism in a Database of Commercially Available Screening Samples.	J. Chem. Inf. Model.	2016	DBLP DOI BibTeX RDF
23	Chen Jiang, Xi Jin, Ying Dong, Ming Chen	Kekule.js: An Open Source JavaScript Chemoinformatics Toolkit.	J. Chem. Inf. Model.	2016	DBLP DOI BibTeX RDF
23		11th German Conference on Chemoinformatics (GCC 2015) - Fulda, Germany. 8-10 November 2015.	J. Cheminformatics	2016	DBLP DOI BibTeX RDF
23	Benoit Gaüzère, Pierre-Anthony Grenier, Luc Brun, Didier Villemin	Treelet kernel incorporating cyclic, stereo and inter pattern information in chemoinformatics.	Pattern Recognit.	2015	DBLP DOI BibTeX RDF