Configurable web-services for biomedical document annotation.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0317-4
- By:
- Publication type:
- Article
Works matching IS 17582946 AND DT 2018 AND VI 10 AND IP 1
Results: 68
1
2
"We were here before the Web and hype...": a brief history of and tribute to the Computational Chemistry List.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0322-7
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- Publication type:
- Article
3
JPlogP: an improved logP predictor trained using predicted data.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0316-5
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- Publication type:
- Article
4
A neural network approach to chemical and gene/protein entity recognition in patents.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0318-3
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- Publication type:
- Article
5
Statistical principle-based approach for gene and protein related object recognition.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0314-7
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- Publication type:
- Article
6
MER: a shell script and annotation server for minimal named entity recognition and linking.
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- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0312-9
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- Publication type:
- Article
7
SIA: a scalable interoperable annotation server for biomedical named entities.
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- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0319-2
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- Publication type:
- Article
8
A probabilistic molecular fingerprint for big data settings.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0321-8
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- Publication type:
- Article
9
A new semi-automated workflow for chemical data retrieval and quality checking for modeling applications.
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- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0315-6
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- Publication type:
- Article
10
Chemlistem: chemical named entity recognition using recurrent neural networks.
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- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0313-8
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- Publication type:
- Article
11
Chaos-embedded particle swarm optimization approach for protein-ligand docking and virtual screening.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0320-9
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- Publication type:
- Article
12
chemmodlab: a cheminformatics modeling laboratory R package for fitting and assessing machine learning models.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0309-4
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- Publication type:
- Article
13
Implicit-descriptor ligand-based virtual screening by means of collaborative filtering.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0310-y
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- Publication type:
- Article
14
Statistical-based database fingerprint: chemical space dependent representation of compound databases.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0311-x
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- Publication type:
- Article
15
Improved understanding of aqueous solubility modeling through topological data analysis.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0308-5
- By:
- Publication type:
- Article
16
Choquet integral-based fuzzy molecular characterizations: when global definitions are computed from the dependency among atom/bond contributions (LOVIs/LOEIs).
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0306-7
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- Publication type:
- Article
17
An automated framework for NMR chemical shift calculations of small organic molecules.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0305-8
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- Publication type:
- Article
18
Cheminformatics-based enumeration and analysis of large libraries of macrolide scaffolds.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0307-6
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- Publication type:
- Article
19
A new chemoinformatics approach with improved strategies for effective predictions of potential drugs.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0303-x
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- Publication type:
- Article
20
Evaluating parameters for ligand-based modeling with random forest on sparse data sets.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0304-9
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- Publication type:
- Article
21
Life beyond the Tanimoto coefficient: similarity measures for interaction fingerprints.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0302-y
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- Publication type:
- Article
22
Exploring non-linear distance metrics in the structure-activity space: QSAR models for human estrogen receptor.
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- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0300-0
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- Publication type:
- Article
23
Novel applications of Machine Learning in cheminformatics.
- Published in:
- 2018
- By:
- Publication type:
- Editorial
24
“MS-Ready” structures for non-targeted high-resolution mass spectrometry screening studies.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0299-2
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- Publication type:
- Article
25
The influence of solid state information and descriptor selection on statistical models of temperature dependent aqueous solubility.
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- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0298-3
- By:
- Publication type:
- Article
26
Machine learning for the prediction of molecular dipole moments obtained by density functional theory.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0296-5
- By:
- Publication type:
- Article
27
Probing the chemical-biological relationship space with the Drug Target Explorer.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0297-4
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- Publication type:
- Article
28
Ambit-SMIRKS: a software module for reaction representation, reaction search and structure transformation.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0295-6
- By:
- Publication type:
- Article
29
SPICES: a particle-based molecular structure line notation and support library for mesoscopic simulation.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0294-7
- By:
- Publication type:
- Article
30
HAMdb: a database of human autophagy modulators with specific pathway and disease information.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0289-4
- By:
- Publication type:
- Article
31
Putting hands to rest: efficient deep CNN-RNN architecture for chemical named entity recognition with no hand-crafted rules.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0280-0
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- Publication type:
- Article
32
RepTB: a gene ontology based drug repurposing approach for tuberculosis.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0276-9
- By:
- Publication type:
- Article
33
Predictive classification models and targets identification for betulin derivatives as Leishmania donovani inhibitors.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0291-x
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- Publication type:
- Article
34
P2Rank: machine learning based tool for rapid and accurate prediction of ligand binding sites from protein structure.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0285-8
- By:
- Publication type:
- Article
35
Chemotion-ELN part 2: adaption of an embedded Ketcher editor to advanced research applications.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0292-9
- By:
- Publication type:
- Article
36
Annotation and detection of drug effects in text for pharmacovigilance.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0290-y
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- Publication type:
- Article
37
PubChem chemical structure standardization.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0293-8
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- Publication type:
- Article
38
Multi-objective de novo drug design with conditional graph generative model.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0287-6
- By:
- Publication type:
- Article
39
Novel pharmacological maps of protein lysine methyltransferases: key for target deorphanization.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0288-5
- By:
- Publication type:
- Article
40
Molecular generative model based on conditional variational autoencoder for de novo molecular design.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0286-7
- By:
- Publication type:
- Article
41
Inferring potential small molecule-miRNA association based on triple layer heterogeneous network.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0284-9
- By:
- Publication type:
- Article
42
ADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET database.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0283-x
- By:
- Publication type:
- Article
43
Sachem: a chemical cartridge for high-performance substructure search.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0282-y
- By:
- Publication type:
- Article
44
Finding the <italic>K</italic> best synthesis plans.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0273-z
- By:
- Publication type:
- Article
45
Effect of missing data on multitask prediction methods.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0281-z
- By:
- Publication type:
- Article
46
Jdpd: an open java simulation kernel for molecular fragment dissipative particle dynamics.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0278-7
- By:
- Publication type:
- Article
47
Using SMILES strings for the description of chemical connectivity in the Crystallography Open Database.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0279-6
- By:
- Publication type:
- Article
48
International chemical identifier for reactions (RInChI).
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0277-8
- By:
- Publication type:
- Article
49
Finding the molecular scaffold of nuclear receptor inhibitors through high-throughput screening based on proteochemometric modelling.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0275-x
- By:
- Publication type:
- Article
50
KRDS: a web server for evaluating drug resistance mutations in kinases by molecular docking.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0274-y
- By:
- Publication type:
- Article