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Drug Repurposing Is a New Opportunity for Developing Drugs against Neuropsychiatric DisordersShifting from the single to the multitarget paradigm in drug discoveryThe new toxicology of sophisticated materials: nanotoxicology and beyondEfficient modeling and active learning discovery of biological responsesFunctional Module Connectivity Map (FMCM): a framework for searching repurposed drug compounds for systems treatment of cancer and an application to colorectal adenocarcinomaNicotinic ligands as multifunctional agents for the treatment of neuropsychiatric disordersHow promiscuous are pharmaceutically relevant compounds? A data-driven assessment.An active role for machine learning in drug developmentThe interprotein scoring noises in glide docking scores.What is the likelihood of an active compound to be promiscuous? Systematic assessment of compound promiscuity on the basis of PubChem confirmatory bioassay data.Balancing novelty with confined chemical space in modern drug discovery.Efficient discovery of responses of proteins to compounds using active learningDifferential Virtual Screening (DVS) with Active and Inactive Molecular Models for Finding and Profiling GPCR Modulators: Case of the CCK1 Receptor.The scoring bias in reverse docking and the score normalization strategy to improve success rate of target fishing.Effects of the nicotinic agonist varenicline on the performance of tasks of cognition in aged and middle-aged rhesus and pigtail monkeysPARP inhibitors: polypharmacology versus selective inhibition.Exploring compound promiscuity patterns and multi-target activity spaces.Plugging the explicit σ-holes in molecular docking.A quantum mechanics-based halogen bonding scoring function for protein-ligand interactions.A new fingerprint to predict nonribosomal peptides activity.Gaussian interaction profile kernels for predicting drug-target interaction.Molecular modeling and structure-based drug discovery approach reveals protein kinases as off-targets for novel anticancer drug RH1.A knowledge-based halogen bonding scoring function for predicting protein-ligand interactions.
P2860
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P2860
description
article científic
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article scientifique
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articolo scientifico
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artigo científico
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bilimsel makale
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scientific article published on 18 June 2010
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vedecký článok
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vetenskaplig artikel
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videnskabelig artikel
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vědecký článek
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name
Drug profiling: knowing where it hits.
@en
Drug profiling: knowing where it hits.
@nl
type
label
Drug profiling: knowing where it hits.
@en
Drug profiling: knowing where it hits.
@nl
prefLabel
Drug profiling: knowing where it hits.
@en
Drug profiling: knowing where it hits.
@nl
P2093
P1433
P1476
Drug profiling: knowing where it hits.
@en
P2093
Agnieszka K Bronowska
Alejandro Merino
David B Jackson
Dolores J Cahill
P304
P356
10.1016/J.DRUDIS.2010.06.006
P577
2010-06-18T00:00:00Z