| scholarly article | Q13442814 |
| P50 | author | Matthias Müller-Hannemann | Q47474765 |
| Jördis-Ann Schüler | Q104494281 | ||
| Steffen Rechner | Q104494282 | ||
| P2860 | cites work | InChI - the worldwide chemical structure identifier standard | Q21030547 |
| InChI, the IUPAC International Chemical Identifier | Q21146620 | ||
| Small Molecule Subgraph Detector (SMSD) toolkit | Q21198771 | ||
| Comparing structural fingerprints using a literature-based similarity benchmark | Q27902270 | ||
| SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules | Q28090714 | ||
| SMILES. 2. Algorithm for generation of unique SMILES notation | Q28090803 | ||
| Towards a Universal SMILES representation - A standard method to generate canonical SMILES based on the InChI | Q28133319 | ||
| The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching | Q30149558 | ||
| Get Your Atoms in Order--An Open-Source Implementation of a Novel and Robust Molecular Canonicalization Algorithm | Q34497044 | ||
| Maximum common subgraph isomorphism algorithms for the matching of chemical structures | Q35037939 | ||
| A (sub)graph isomorphism algorithm for matching large graphs. | Q51995250 | ||
| An Algorithm for Subgraph Isomorphism | Q55934414 | ||
| Bit-vector algorithms for binary constraint satisfaction and subgraph isomorphism | Q56270752 | ||
| Isomorphism of graphs of bounded valence can be tested in polynomial time | Q56503919 | ||
| Performance evaluation of the VF graph matching algorithm | Q57938725 | ||
| A probabilistic molecular fingerprint for big data settings | Q90626377 | ||
| ChemFrag: Chemically meaningful annotation of fragment ion mass spectra | Q90920292 | ||
| P433 | issue | 1 | |
| P304 | page(s) | 73 | |
| P577 | publication date | 2020-12-17 | |
| P1433 | published in | Journal of Cheminformatics | Q6294930 |
| P1476 | title | MET: a Java package for fast molecule equivalence testing | |
| P478 | volume | 12 |
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