Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?
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Consensus Diversity Plots: a global diversity analysis of chemical librariesA graph-based approach to construct target-focused libraries for virtual screeningVirtual Screening Approaches towards the Discovery of Toll-Like Receptor ModulatorsLarge-Scale Off-Target Identification Using Fast and Accurate Dual Regularized One-Class Collaborative Filtering and Its Application to Drug RepurposingDiscovery of novel inhibitors disrupting HIF-1α/von Hippel-Lindau interaction through shape-based screening and cascade dockingS2RSLDB: a comprehensive manually curated, internet-accessible database of the sigma-2 receptor selective ligandsGenomic charting of ribosomally synthesized natural product chemical space facilitates targeted miningNeural Networks for the Prediction of Organic Chemistry Reactions.Large-Scale Screening and Identification of Novel Ebola Virus and Marburg Virus Entry InhibitorsUniqueness: skews bit occurrence frequencies in randomly generated fingerprint libraries.Structure-based virtual screening of hypothetical inhibitors of the enzyme longiborneol synthase-a potential target to reduce Fusarium head blight disease.Trypanocidal Effect of Isotretinoin through the Inhibition of Polyamine and Amino Acid Transporters in Trypanosoma cruziVSPrep: A General KNIME Workflow for the Preparation of Molecules for Virtual Screening.Comparative analysis of volatiles difference of Yunnan sun-dried Pu-erh green tea from different tea mountains: Jingmai and Wuliang mountain by chemical fingerprint similarity combined with principal component analysis and cluster analysisITPI: Initial Transcription Process-Based Identification Method of Bioactive Components in Traditional Chinese Medicine Formula.SUR1 Receptor Interaction with Hesperidin and Linarin Predicts Possible Mechanisms of Action of Valeriana officinalis in ParkinsonPredicting protein-ligand affinity with a random matrix framework.An editor for the generation and customization of geometry restraints.Modeling of The hERG K+ Channel Blockage Using Online Chemical Database and Modeling Environment (OCHEM).QSAR-driven design, synthesis and discovery of potent chalcone derivatives with antitubercular activity.Why are most phospholipidosis inducers also hERG blockers?C-SPADE: a web-tool for interactive analysis and visualization of drug screening experiments through compound-specific bioactivity dendrograms.Chemoinformatic Classification Methods and their Applicability Domain.Quantum probability ranking principle for ligand-based virtual screening.Improving confidence in (Q)SAR predictions under Canada's Chemicals Management Plan - a chemical space approach.Lack of Influence of Substrate on Ligand Interaction with the Human Multidrug and Toxin Extruder, MATE1.Adapting Document Similarity Measures for Ligand-Based Virtual Screening.Consistency of QSAR models: Correct split of training and test sets, ranking of models and performance parameters.Chemotion ELN: an Open Source electronic lab notebook for chemists in academiaA novel approach for the prediction of species-specific biotransformation of xenobiotic/drug molecules by the human gut microbiota.A review of parameters and heuristics for guiding metabolic pathfindingComparative analysis of chemical similarity methods for modular natural products with a hypothetical structure enumeration algorithm.CPANNatNIC software for counter-propagation neural network to assist in read-across.QSAR, docking, ADMET, and system pharmacology studies on tormentic acid derivatives for anticancer activity.Computer-Assisted Retrosynthesis Based on Molecular Similarity.Chemical reaction vector embeddings: towards predicting drug metabolism in the human gut microbiome.Ensemble docking to difficult targets in early-stage drug discovery: Methodology and application to fibroblast growth factor 23.Structure-activity relationships among DNA ligase inhibitors: Characterization of a selective uncompetitive DNA ligase I inhibitor.Discovery of New Inhibitors of Toxoplasma gondii via the Pathogen Box.Discovery of novel, orally bioavailable, antileishmanial compounds using phenotypic screening.
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P2860
Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?
description
2015 nî lūn-bûn
@nan
2015 թուականի Մայիսին հրատարակուած գիտական յօդուած
@hyw
2015 թվականի մայիսին հրատարակված գիտական հոդված
@hy
2015年の論文
@ja
2015年論文
@yue
2015年論文
@zh-hant
2015年論文
@zh-hk
2015年論文
@zh-mo
2015年論文
@zh-tw
2015年论文
@wuu
name
Why is Tanimoto index an appro ...... based similarity calculations?
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Why is Tanimoto index an appro ...... based similarity calculations?
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Why is Tanimoto index an appro ...... based similarity calculations?
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Why is Tanimoto index an appro ...... based similarity calculations?
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Why is Tanimoto index an appro ...... based similarity calculations?
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Why is Tanimoto index an appro ...... based similarity calculations?
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Why is Tanimoto index an appro ...... based similarity calculations?
@ast
Why is Tanimoto index an appro ...... based similarity calculations?
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Why is Tanimoto index an appro ...... based similarity calculations?
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Why is Tanimoto index an appro ...... based similarity calculations?
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Anita Rácz
Károly Héberger
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10.1186/S13321-015-0069-3
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P577
2015-05-20T00:00:00Z
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1013829144