| scholarly article | Q13442814 |
| P8978 | DBLP publication ID | journals/jcisd/Chen06 |
| P356 | DOI | 10.1021/CI060016U |
| P698 | PubMed publication ID | 17125167 |
| P5875 | ResearchGate publication ID | 6673380 |
| P2093 | author name string | William Lingran Chen | |
| P2860 | cites work | NMRShiftDB - Constructing a Free Chemical Information System with Open-Source Components | Q27156560 |
| Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited | Q27783587 | ||
| SENECA: A Platform-Independent, Distributed, and Parallel System for Computer-Assisted Structure Elucidation in Organic Chemistry | Q28837910 | ||
| The Generation of a Unique Machine Description for Chemical Structures-A Technique Developed at Chemical Abstracts Service | Q28837925 | ||
| Design and analysis of a combinatorial library of HEPT analogues: comparison of selection methodologies and inspection of the actually covered chemical space | Q30883323 | ||
| Structure Elucidator: a versatile expert system for molecular structure elucidation from 1D and 2D NMR data and molecular fragments | Q30932921 | ||
| Structure elucidation from 2D NMR spectra using the StrucEluc expert system: detection and removal of contradictions in the data | Q30965682 | ||
| Comparison of knowledge-based and distance geometry approaches for generation of molecular conformations | Q30993101 | ||
| CLIP: similarity searching of 3D databases using clique detection | Q34185597 | ||
| Structure generation by reduction: a new strategy for computer-assisted structure elucidation | Q38594392 | ||
| Enhanced CACTVS browser of the Open NCI Database | Q42670491 | ||
| Applications of a HOUDINI-Based Structure Elucidation System | Q44505637 | ||
| Traditional Chinese medicine database and application on the Web. | Q47632184 | ||
| The ROBIA program for predicting organic reactivity | Q51945205 | ||
| Organic synthesis--art or science? | Q52001102 | ||
| HOUDINI: A New Approach to Computer-Based Structure Generation | Q52009004 | ||
| Structural Search Codes for On-Line Compound Registration | Q52108210 | ||
| Rapid subgraph search using parallelism | Q52685732 | ||
| Computation and management of chemical properties in CACTVS: An extensible networked approach toward modularity and compatibility | Q53843480 | ||
| De Novo Generation of Molecular Structures Using Optimization To Select Graphs on a Given Lattice | Q59204897 | ||
| Artificial intelligence in organic synthesis. SST: starting material selection strategies. An application of superstructure search | Q62495859 | ||
| Application of the Maximal Common Substructure Algorithm to Automatic Interpretation of 13C-NMR Spectra | Q63350346 | ||
| CSEARCH: a computer program for identification of organic compounds and fully automated assignment of carbon-13 nuclear magnetic resonance spectra | Q63350423 | ||
| NIH/EPA Chemical Information System | Q71401765 | ||
| Calculation of intersubstituent similarity using R-group descriptors | Q73164818 | ||
| Simulation of organic reactions: from the degradation of chemicals to combinatorial synthesis | Q73667264 | ||
| Automatic spectra interpretation, structure generation, and ranking | Q74371671 | ||
| Structure generation of constitutional isomers from structural fragments | Q99233850 | ||
| Chemical inference. 2. Formalization of the language of organic chemistry: generic systematic nomenclature | Q108760562 | ||
| A Graph-Theoretic Algorithm for Matching Chemical Structures. | Q110408143 | ||
| P433 | issue | 6 | |
| P921 | main subject | cheminformatics | Q910164 |
| P304 | page(s) | 2230-2255 | |
| P577 | publication date | 2006-11-01 | |
| P13046 | publication type of scholarly work | review article | Q7318358 |
| P1433 | published in | Journal of Chemical Information and Modeling | Q3007982 |
| P1476 | title | Chemoinformatics: past, present, and future | |
| P478 | volume | 46 |
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| Q38112324 | Mass spectrometry and NMR spectroscopy: modern high-end detectors for high resolution separation techniques--state of the art in natural product HPLC-MS, HPLC-NMR, and CE-MS hyphenations |
| Q27499209 | OMG: Open Molecule Generator |
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