How diverse are diversity assessment methods? A comparative analysis and benchmarking of molecular descriptor space.
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Bioalerts: a python library for the derivation of structural alerts from bioactivity and toxicity data setsA reliable computational workflow for the selection of optimal screening librariesSimilar compounds versus similar conformers: complementarity between PubChem 2-D and 3-D neighboring setsStereoselective virtual screening of the ZINC database using atom pair 3D-fingerprintsCheminformatics Research at the Unilever Centre for Molecular Science Informatics CambridgeEU-OPENSCREEN-chemical tools for the study of plant biology and resistance mechanismsPrediction of developmental chemical toxicity based on gene networks of human embryonic stem cellsData-driven approaches used for compound library design, hit triage and bioactivity modeling in high-throughput screening.Network measures for chemical library design.Small Molecule-Based Pattern Recognition To Classify RNA Structure.Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel.QSAR studies in the discovery of novel type-II diabetic therapies.In silico studies in drug research against neurodegenerative diseases.Understanding the foundations of the structural similarities between marketed drugs and endogenous human metabolitesA 'rule of 0.5' for the metabolite-likeness of approved pharmaceutical drugs.The Calculation of Molecular Structural Similarity: Principles and Practice.Multivariate statistical analysis of a large odorants database aimed at revealing similarities and links between odorants and odorsMachine Learning Based Toxicity Prediction: From Chemical Structural Description to Transcriptome Analysis
P2860
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P2860
How diverse are diversity assessment methods? A comparative analysis and benchmarking of molecular descriptor space.
description
2013 nî lūn-bûn
@nan
2013 թուականի Դեկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2013 թվականի դեկտեմբերին հրատարակված գիտական հոդված
@hy
2013年の論文
@ja
2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
@wuu
name
How diverse are diversity asse ...... of molecular descriptor space.
@ast
How diverse are diversity asse ...... of molecular descriptor space.
@en
type
label
How diverse are diversity asse ...... of molecular descriptor space.
@ast
How diverse are diversity asse ...... of molecular descriptor space.
@en
prefLabel
How diverse are diversity asse ...... of molecular descriptor space.
@ast
How diverse are diversity asse ...... of molecular descriptor space.
@en
P2093
P50
P356
P1476
How diverse are diversity asse ...... of molecular descriptor space.
@en
P2093
Alexios Koutsoukas
Andreas Bender
Robert C Glen
Shardul Paricharak
Warren R J D Galloway
P304
P356
10.1021/CI400469U
P577
2013-12-13T00:00:00Z