Chemical substructures that enrich for biological activity
about
A Survey of Quantitative Descriptions of Molecular StructurePrediction of the potency of mammalian cyclooxygenase inhibitors with ensemble proteochemometric modeling.Robust optimization of SVM hyperparameters in the classification of bioactive compoundsChemically Aware Model Builder (camb): an R package for property and bioactivity modelling of small moleculesBioalerts: a python library for the derivation of structural alerts from bioactivity and toxicity data setsA generalizable definition of chemical similarity for read-acrossAsymmetric clustering index in a case study of 5-HT1A receptor ligandsAverage Information Content Maximization--A New Approach for Fingerprint Hybridization and ReductionBioactivity-guided isolation of antioxidant and anti-hepatocarcinoma constituents from Veronica ciliataProteochemometric modeling in a Bayesian framework.The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searchingPractical application of the Average Information Content Maximization (AIC-MAX) algorithm: selection of the most important structural features for serotonin receptor ligands.Phenotypic screening of phylomer peptide libraries derived from genome fragments to identify and validate new targets and therapeutics.Recent trends and observations in the design of high-quality screening collections.Composition and applications of focus libraries to phenotypic assaysCompound prioritization methods increase rates of chemical probe discovery in model organisms.Discovering patterns in drug-protein interactions based on their fingerprints.Extraction and validation of substructure profiles for enriching compound libraries.Mining collections of compounds with Screening Assistant 2The influence of the inactives subset generation on the performance of machine learning methodsThe importance of molecular complexity in the design of screening libraries.An overview of molecular fingerprint similarity search in virtual screening.An Algorithm to Identify Target-Selective Ligands - A Case Study of 5-HT7/5-HT1A Receptor Selectivity.Illuminating the dark matter in metabolomicsSearching molecular structure databases with tandem mass spectra using CSI:FingerID.Probabilistic hazard assessment for skin sensitization potency by dose-response modeling using feature elimination instead of quantitative structure-activity relationships.Antiviral Stratagems Against HIV-1 Using RNA Interference (RNAi) Technology.Crystal structures of three 6-substituted coumarin-3-carboxamide derivatives.Molecular vibration-activity relationship in the agonism of adenosine receptors4-isoxazolyl-1,4-dihydropyridines: a tale of two scaffolds.Metabolome-scale de novo pathway reconstruction using regioisomer-sensitive graph alignments.Computational-experimental approach to drug-target interaction mapping: A case study on kinase inhibitors.Computational methods to identify metabolic sub-networks based on metabolomic profiles.Predicting the Enzymatic Hydrolysis Half-lives of New Chemicals Using Support Vector Regression Models Based on Stepwise Feature Elimination.Inferring Chemogenomic Features from Drug-Target Interaction Networks.Benchmarking a Wide Range of Chemical Descriptors for Drug-Target Interaction Prediction Using a Chemogenomic Approach.Probing the origins of human acetylcholinesterase inhibition via QSAR modeling and molecular dockingDetermination of the Potential of Drug Candidates to Cause Severe Skin Disorders Using Computational Modeling.SDTNBI: an integrated network and chemoinformatics tool for systematic prediction of drug-target interactions and drug repositioning.Extremely Randomized Machine Learning Methods for Compound Activity Prediction.
P2860
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P2860
Chemical substructures that enrich for biological activity
description
2008 nî lūn-bûn
@nan
2008 թուականի Սեպտեմբերին հրատարակուած գիտական յօդուած
@hyw
2008 թվականի սեպտեմբերին հրատարակված գիտական հոդված
@hy
2008年の論文
@ja
2008年学术文章
@wuu
2008年学术文章
@zh-cn
2008年学术文章
@zh-hans
2008年学术文章
@zh-my
2008年学术文章
@zh-sg
2008年學術文章
@yue
name
Chemical substructures that enrich for biological activity
@ast
Chemical substructures that enrich for biological activity
@en
type
label
Chemical substructures that enrich for biological activity
@ast
Chemical substructures that enrich for biological activity
@en
prefLabel
Chemical substructures that enrich for biological activity
@ast
Chemical substructures that enrich for biological activity
@en
P2860
P356
P1433
P1476
Chemical substructures that enrich for biological activity
@en
P2093
Justin Klekota
P2860
P304
P356
10.1093/BIOINFORMATICS/BTN479
P407
P577
2008-09-10T00:00:00Z