Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde?
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Target enhanced 2D similarity search by using explicit biological activity annotations and profilesAn activity canyon characterization of the pharmacological topographyLarge-Scale Off-Target Identification Using Fast and Accurate Dual Regularized One-Class Collaborative Filtering and Its Application to Drug RepurposingPredictive Modeling of Estrogen Receptor Binding Agents Using Advanced Cheminformatics Tools and Massive Public DataProgress in the analysis of multiple activity profile of screening data using computational approaches.Providing data science support for systems pharmacology and its implications to drug discoveryActivity and property landscape modeling is at the interface of chemoinformatics and medicinal chemistry.Activity landscape of DNA methyltransferase inhibitors bridges chemoinformatics with epigenetic drug discovery.Quantitative structure-activity relationship: promising advances in drug discovery platforms.A renaissance of neural networks in drug discovery.A Round Trip from Medicinal Chemistry to Predictive Toxicology.Advances in Activity Cliff Research.Systemic QSAR and phenotypic virtual screening: chasing butterflies in drug discovery.Performance of Deep and Shallow Neural Networks, the Universal Approximation Theorem, Activity Cliffs, and QSAR.From flamingo dance to (desirable) drug discovery: a nature-inspired approach.Structure-based predictions of activity cliffs.Activity cliffs and activity cliff generators based on chemotype-related activity landscapes.Transfer and Multi-task Learning in QSAR Modeling: Advances and Challenges.Exploring Landscape of Drug-Target-Pathway-Side Effect Associations.Getting SMARt in drug discovery: chemoinformatics approaches for mining structure–multiple activity relationships
P2860
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P2860
Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde?
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article científic
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article scientifique
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articol științific
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articolo scientifico
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artigo científico
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artigo científico
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artigo científico
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artikel ilmiah
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artículo científico
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name
Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde?
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label
Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde?
@en
prefLabel
Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde?
@en
P50
P1433
P1476
Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde?
@en
P2093
José L Medina-Franco
M Natália D S Cordeiro
P304
P356
10.1016/J.DRUDIS.2014.02.003
P577
2014-02-20T00:00:00Z