ChemDB Web Interface Index

Time 2020-09-30 21:07:36

Web Name: ChemDB Web Interface Index

WebSite: http://cdb.ics.uci.edu

ID:65610

Keywords:

Web,ChemDB,Index,

Description:

Mass2Structure Search ChemDB by monoisotopic mass and substructure filtering. Protein Target Predictor Predict activities of small molecules against a large set of protein targets Chemical datasets Datasets for training and testing machine learning and other algorithms. Relevant scientific articles published by our team. If you use any data or tools from the ChemDB Portal, please cite the following article: ChemicalSearch Find a molecule by its name, structure, or similarity to another molecule and filter the results. Virtual Chemical Space Interactively deconstruct a target molecule into possible chemical precursors and reassemble them into a combinatorial library of real or virtual molecules around the target. MOLpro Calculate or predict molecular properties other than 3D structure. AquaSol Predict aqueous solubility of small molecules usingdeep learning and ensembles. COSMOS (downloadable) Predict 3D molecular structures using opencrystallography libraries. COSMOS Predict 3D molecular structures. RNN Tool-Kits for Predicting Molecular Properties from SMILES Inner- and Outer Recursive Neural Networks for Chemoinformatics Reaction Explorer Learn and practice reactions, syntheses, and mechanisms interactively with support for: automated generation of problems, curved-arrow mechanism diagrams, and inquiry-based learning. Reaction Predictor Predict reaction outcomes and mechanisms using machine learning. ReactionPredictor (older version) Previous system to predict reaction outcomes andmechanisms using machine learning. ReactionMap Predict the mapping of reactant atoms to product atoms for chemical reactions. Download Download entire set of chemical isomers contained within ChemDB. Implementation System implementation materials such as the database schema with data definition and source / vendor information table. Analysis Data analysis tables and charts based upon ChemDB contents. ChemAxon Molecular visualization applet, including 3D views and mechanism arrow diagram sketching. JME Editor (Peter Ertl, Novartis) Molecule editing Java Applet to enable sketching of your own reactants. Chemical Vendors All of the vendors who have supplied their chemical information catalogs that comprise the core data beneath ChemDB. The source information table includes a complete listing. University of California, Irvine | Institute for Genomics and Bioinformatics | 2012

TAGS:Web ChemDB Index 

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