scholarly article | Q13442814 |
P8978 | DBLP publication ID | journals/jcheminf/KochevAJ18 |
P6179 | Dimensions Publication ID | 1106262245 |
P356 | DOI | 10.1186/S13321-018-0295-6 |
P2888 | exact match | https://scigraph.springernature.com/pub.10.1186/s13321-018-0295-6 |
P932 | PMC publication ID | 6102164 |
P698 | PubMed publication ID | 30128804 |
P50 | author | Nikolay Kochev | Q57953722 |
Svetlana Avramova | Q91055507 | ||
Nina Jeliazkova | Q27061849 | ||
P2093 | author name string | Svetlana Avramova | |
P2860 | cites work | Erratum to: ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics | Q43004310 |
HMDB 4.0: the human metabolome database for 2018. | Q43212324 | ||
International chemical identifier for chemical reactions. | Q45751629 | ||
An evaluation of the implementation of the Cramer classification scheme in the Toxtree software | Q52227990 | ||
Computation and management of chemical properties in CACTVS: An extensible networked approach toward modularity and compatibility | Q53843480 | ||
Correlation of structural class with no-observed-effect levels: a proposal for establishing a threshold of concern | Q71915195 | ||
The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics | Q27061829 | ||
Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics | Q27065423 | ||
SMARTCyp: A 2D Method for Prediction of Cytochrome P450-Mediated Drug Metabolism | Q27136650 | ||
Chemical Markup, XML, and the World Wide Web. 6. CMLReact, an XML Vocabulary for Chemical Reactions | Q27162658 | ||
AMBIT RESTful web services: an implementation of the OpenTox application programming interface | Q27921856 | ||
enviPath--The environmental contaminant biotransformation pathway resource | Q28603048 | ||
ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics | Q30066304 | ||
SYBYL line notation (SLN): a single notation to represent chemical structures, queries, reactions, and virtual libraries | Q30853915 | ||
Molecular query language (MQL)--a context-free grammar for substructure matching | Q33279799 | ||
Reaction-MQL: line notation for functional transformation | Q33393834 | ||
New publicly available chemical query language, CSRML, to support chemotype representations for application to data mining and modeling | Q35554392 | ||
AMBIT-SMARTS: Efficient Searching of Chemical Structures and Fragments | Q36088499 | ||
A novel descriptor based on atom-pair properties | Q36313908 | ||
CurlySMILES: a chemical language to customize and annotate encodings of molecular and nanodevice structures | Q41790712 | ||
P275 | copyright license | Creative Commons Attribution 4.0 International | Q20007257 |
P6216 | copyright status | copyrighted | Q50423863 |
P433 | issue | 1 | |
P921 | main subject | software | Q7397 |
P304 | page(s) | 42 | |
P577 | publication date | 2018-08-20 | |
P1433 | published in | Journal of Cheminformatics | Q6294930 |
P1476 | title | Ambit-SMIRKS: a software module for reaction representation, reaction search and structure transformation | |
P478 | volume | 10 |
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