Exploring chemical space for drug discovery using the chemical universe database.
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Computational approaches in target identification and drug discoveryCommon Amino Acid Subsequences in a Universal Proteome--Relevance for Food ScienceInternet Databases of the Properties, Enzymatic Reactions, and Metabolism of Small Molecules-Search Options and Applications in Food ScienceGeauxDock: Accelerating Structure-Based Virtual Screening with Heterogeneous ComputingDeep learning for computational chemistry.Discovery of potent positive allosteric modulators of the α3β2 nicotinic acetylcholine receptor by a chemical space walk in ChEMBL.Expanding the fragrance chemical space for virtual screeningA multi-fingerprint browser for the ZINC databaseToward performance-diverse small-molecule libraries for cell-based phenotypic screening using multiplexed high-dimensional profiling.VinaMPI: facilitating multiple receptor high-throughput virtual docking on high-performance computers.Focused chemical libraries--design and enrichment: an example of protein-protein interaction chemical space.Facile access to a heterocyclic, sp(3)-rich chemical scaffold via a tandem condensation/intramolecular nitrone-alkene [3+2] cycloaddition strategy.Getting the most out of PubChem for virtual screeningPharmacophore Alignment Search Tool (PhAST): Significance Assessment of Chemical Similarity.Novel C6-substituted 1,3,4-oxadiazinones as potential anti-cancer agents.When cationic cell-penetrating peptides meet hydrocarbons to enhance in-cell cargo delivery.Lost in chemical space? Maps to support organometallic catalysis.Identification of drug candidates and repurposing opportunities through compound-target interaction networks.Computational-experimental approach to drug-target interaction mapping: A case study on kinase inhibitors.Synthesis of Spirocyclic Indolenines.Anthropogenic reaction parameters--the missing link between chemical intuition and the available chemical space.Consensus queries in ligand-based virtual screening experiments.From properties to materials: An efficient and simple approach.Cyclopropane-Based Peptidomimetics Mimicking Wide-Ranging Secondary Structures of Peptides: Conformational Analysis and Their Use in Rational Ligand Optimization.From Peptides to Peptidomimetics: A Strategy Based on the Structural Features of Cyclopropane.Silver(I)-Catalyzed Enantioselective [3+2]-Cycloaddition Reaction of α-Silylimines: A Facile Route to Quaternary-Carbon-Rich Scaffolds.Polypharmacology of conformationally locked methanocarba nucleosides.The Alexandria library, a quantum-chemical database of molecular properties for force field development.Learning with multiple pairwise kernels for drug bioactivity prediction.Virtual Screening for Potential Substances for the Prophylaxis of HIV Infection in Libraries of Commercially Available Organic CompoundsOpen chemoinformatic resources to explore the structure, properties and chemical space of molecules
P2860
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P2860
Exploring chemical space for drug discovery using the chemical universe database.
description
2012 nî lūn-bûn
@nan
2012 թուականի Ապրիլին հրատարակուած գիտական յօդուած
@hyw
2012 թվականի ապրիլին հրատարակված գիտական հոդված
@hy
2012年の論文
@ja
2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
name
Exploring chemical space for drug discovery using the chemical universe database.
@ast
Exploring chemical space for drug discovery using the chemical universe database.
@en
type
label
Exploring chemical space for drug discovery using the chemical universe database.
@ast
Exploring chemical space for drug discovery using the chemical universe database.
@en
prefLabel
Exploring chemical space for drug discovery using the chemical universe database.
@ast
Exploring chemical space for drug discovery using the chemical universe database.
@en
P2860
P356
P1476
Exploring chemical space for drug discovery using the chemical universe database.
@en
P2093
Mahendra Awale
P2860
P304
P356
10.1021/CN3000422
P577
2012-04-25T00:00:00Z