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Synthetic Strategies for 5- and 6-Membered Ring Azaheterocycles Facilitated by Iminyl RadicalsWeb-based 3D-visualization of the DrugBank chemical spaceA graph-based approach to construct target-focused libraries for virtual screeningInternet Databases of the Properties, Enzymatic Reactions, and Metabolism of Small Molecules-Search Options and Applications in Food ScienceBIGCHEM: Challenges and Opportunities for Big Data Analysis in ChemistryPDB-Explorer: a web-based interactive map of the protein data bank in shape spaceChemical Diversity and Complexity of Scotch Whisky as Revealed by High-Resolution Mass SpectrometryQuantum-chemical insights from deep tensor neural networks.In search of novel ligands using a structure-based approach: a case study on the adenosine A2A receptorHelping to improve the practice of cheminformatics.Structural database resources for biological macromolecules.Chemical philanthropy: a path forward for antibiotic discovery?PASS Targets: Ligand-based multi-target computational system based on a public data and naïve Bayes approach.Advanced Multidimensional Separations in Mass Spectrometry: Navigating the Big Data Deluge.The polypharmacology browser: a web-based multi-fingerprint target prediction tool using ChEMBL bioactivity dataExtending accessible chemical space for the identification of novel leads.Improved fluorescence assays to measure the defects associated with F508del-CFTR allow identification of new active compounds.Database fingerprint (DFP): an approach to represent molecular databases.Fast & easy preparation of 3D scaffolds from methyl benzoate by a diversity oriented synthesis strategy based on Diels-Alder and ene-reactions.A polymer dataset for accelerated property prediction and designChemMaps: Towards an approach for visualizing the chemical space based on adaptive satellite compounds.Identification of acetylcholinesterase inhibitors using homogenous cell-based assays in quantitative high-throughput screening platforms.Gene-set analysis based on the pharmacological profiles of drugs to identify repurposing opportunities in schizophrenia.Chemical space guided discovery of antimicrobial bridged bicyclic peptides against Pseudomonas aeruginosa and its biofilms.Generative Recurrent Networks for De Novo Drug Design.ANI-1, A data set of 20 million calculated off-equilibrium conformations for organic molecules.Chemoinformatics: a perspective from an academic setting in Latin America.Annotation of Peptide Structures Using SMILES and Other Chemical Codes-Practical Solutions.From properties to materials: An efficient and simple approach.Molecular Connectivity Predefines Polypharmacology: Aliphatic Rings, Chirality, and sp3 Centers Enhance Target Selectivity.Materials space of solid-state electrolytes: unraveling chemical composition-structure-ionic conductivity relationships in garnet-type metal oxides using cheminformatics virtual screening approaches.Study of the Chemical Space of Selected Bacteriostatic Sulfonamides from an Information Theory Point of View.The octet rule in chemical space: generating virtual molecules.How predictive could alchemical derivatives be?Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules.Exploring G Protein-Coupled Receptors (GPCRs) Ligand Space via Cheminformatics Approaches: Impact on Rational Drug Design.Visualization of multi-property landscapes for compound selection and optimization.The Alexandria library, a quantum-chemical database of molecular properties for force field development.Open chemoinformatic resources to explore the structure, properties and chemical space of molecules
P2860
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P2860
description
2015 nî lūn-bûn
@nan
2015 թուականի Մարտին հրատարակուած գիտական յօդուած
@hyw
2015 թվականի մարտին հրատարակված գիտական հոդված
@hy
2015年の論文
@ja
2015年論文
@yue
2015年論文
@zh-hant
2015年論文
@zh-hk
2015年論文
@zh-mo
2015年論文
@zh-tw
2015年论文
@wuu
name
The Chemical Space Project
@ast
The Chemical Space Project
@en
type
label
The Chemical Space Project
@ast
The Chemical Space Project
@en
prefLabel
The Chemical Space Project
@ast
The Chemical Space Project
@en
P3181
P356
P1476
The Chemical Space Project
@en
P2093
Jean-Louis Reymond
P304
P3181
P356
10.1021/AR500432K
P407
P577
2015-03-17T00:00:00Z