The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching
about
A transcriptomics data-driven gene space accurately predicts liver cytopathology and drug-induced liver injuryErratum to: The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searchingComputational approaches to chemical hazard assessment.UC2 search: Using unique connectivity of uncharged compounds for metabolite annotation by database searching in mass spectrometry-based metabolomics.3D-e-Chem: Structural Cheminformatics Workflows for Computer-Aided Drug Discovery.A confidence predictor for logD using conformal regression and a support-vector machineCypReact: A Software Tool for in Silico Reactant Prediction for Human Cytochrome P450 EnzymesCancer Drug Response Profile scan (CDRscan): A Deep Learning Model That Predicts Drug Effectiveness from Cancer Genomic Signature.A novel methodology on distributed representations of proteins using their interacting ligands.Algorithmic Analysis of Cahn-Ingold-Prelog Rules of Stereochemistry: Proposals for Revised Rules and a Guide for Machine ImplementationProbing the chemical-biological relationship space with the Drug Target ExplorerSPICES: a particle-based molecular structure line notation and support library for mesoscopic simulation
P2860
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P2860
The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching
description
2017 nî lūn-bûn
@nan
2017 թուականի Յունիսին հրատարակուած գիտական յօդուած
@hyw
2017 թվականի հունիսին հրատարակված գիտական հոդված
@hy
2017年の論文
@ja
2017年論文
@yue
2017年論文
@zh-hant
2017年論文
@zh-hk
2017年論文
@zh-mo
2017年論文
@zh-tw
2017年论文
@wuu
name
The Chemistry Development Kit ...... as, and substructure searching
@ast
The Chemistry Development Kit ...... as, and substructure searching
@en
type
label
The Chemistry Development Kit ...... as, and substructure searching
@ast
The Chemistry Development Kit ...... as, and substructure searching
@en
prefLabel
The Chemistry Development Kit ...... as, and substructure searching
@ast
The Chemistry Development Kit ...... as, and substructure searching
@en
P2860
P50
P1476
The Chemistry Development Kit ...... as, and substructure searching
@en
P2860
P2888
P356
10.1186/S13321-017-0220-4
P50
P5008
P577
2017-06-06T00:00:00Z
P6179
1085900799