Ligand-based target prediction with signature fingerprints.
about
Filtered circular fingerprints improve either prediction or runtime performance while retaining interpretabilityAccurate and efficient target prediction using a potency-sensitive influence-relevance voterLarge-scale ligand-based predictive modelling using support vector machinesA fast topological analysis algorithm for large-scale similarity evaluations of ligands and binding pocketsThe Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searchingAn Algorithm to Identify Target-Selective Ligands - A Case Study of 5-HT7/5-HT1A Receptor Selectivity.Mining integrated semantic networks for drug repositioning opportunitiesTowards agile large-scale predictive modelling in drug discovery with flow-based programming design principlesInfluence of Varying Training Set Composition and Size on Support Vector Machine-Based Prediction of Active Compounds.Generating Focused Molecule Libraries for Drug Discovery with Recurrent Neural Networks.Pharmaceutical Machine Learning: Virtual High-Throughput Screens Identifying Promising and Economical Small Molecule Inhibitors of Complement Factor C1s.Predicting Off-Target Binding Profiles With Confidence Using Conformal Prediction
P2860
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P2860
Ligand-based target prediction with signature fingerprints.
description
2014 nî lūn-bûn
@nan
2014年の論文
@ja
2014年論文
@yue
2014年論文
@zh-hant
2014年論文
@zh-hk
2014年論文
@zh-mo
2014年論文
@zh-tw
2014年论文
@wuu
2014年论文
@zh
2014年论文
@zh-cn
name
Ligand-based target prediction with signature fingerprints.
@en
Ligand-based target prediction with signature fingerprints.
@nl
type
label
Ligand-based target prediction with signature fingerprints.
@en
Ligand-based target prediction with signature fingerprints.
@nl
prefLabel
Ligand-based target prediction with signature fingerprints.
@en
Ligand-based target prediction with signature fingerprints.
@nl
P2093
P50
P356
P1476
Ligand-based target prediction with signature fingerprints.
@en
P2093
Lars Carlsson
Martin Eklund
Tobias Noeske
P304
P356
10.1021/CI500361U
P577
2014-10-03T00:00:00Z