standOff, and the article is at its publisher via the link below. When we have changed our mind. Some entries in the table begin with a word in capitals and the reason for it. EVIDENCE CORRECTED — the finding still stands, but we had quoted the wrong sentence from the paper, and the quotation has been replaced with the right one. RETRACTED — the entry itself was wrong; it stays on the page, marked, with the reason, rather than being deleted. WITHDRAWN AND REPLACED — the entry was wrong, and a corrected version of it appears in the entries below. Each mark carries its own reason, in brackets, because the reasons differ from one entry to the next. An entry we have WITHDRAWN is removed from this page and kept in the record, with its reason. A line reading Audit and a date is a later re-reading of the entry against its whole sentence: DOUBTFUL means it was kept, and the reason says what is loose about it. Quotation marks inside the tagger's sentence. Where a tag is the tagger's own sentence, a phrase in quotation marks inside it is borrowed from the paper — the tagger's wording around it is not. The paper's own sentence is the evidence quote for that row; on this page it is withheld with the article, and the article is at its publisher. Nothing inside quotation marks anywhere on this page is ours: if it is quoted, it is the paper's. Whose words a concept carries. A concept entry records a term the paper itself uses, so the term, the sense given for it, and its evidence are the paper's own words, quoted where the paper fixes them. This is the opposite of a sense entry in the tag table, which is the tagger's sentence about how the paper uses a term. Where a concept entry could not be grounded in the paper's words, the entry says so on its own row.| claim type | claim_type | the shape of the claim: existence, mechanism, method, critique, prediction, null |
| concept edge | concept_edges | an asserted relation between two concepts, with the sentence asserting it |
| concept | concepts | an idea the paper works with, quoted where the paper uses it |
| contribution | contribution | what the paper claims to add |
| control | controls | an experiment run to eliminate a rival explanation |
| limitation | limitations | what the paper says its evidence cannot support |
| mechanism | mechanisms | how the reported effect is said to come about |
| method | method | how the paper produced its evidence |
| object of study | object_of_study | what the paper is about — the thing it investigates |
| phenomenon | phenomenon | the effect or regularity under study |
| research question | research_question | the question the paper sets itself |
| sense | senses | a distinct use of a term, quoted where the paper fixes it |
Relations on this page carry a quotation for the claim. Where a relation was separately evidenced — and so tested against the vocabulary for its type — the row says so; none of 2 relations here carry that mark. The rest are the tagger’s reading of the sentence quoted beside them.
This record holds no relations between claims. A layer is empty when the tagger recorded nothing in it — which is not the same as the paper having nothing to record.
| facet | tag | field | conf. | whose words |
|---|---|---|---|---|
| object_of_study | the interconversion of chemical structures between file formats, and the 111 formats Open Babel implements Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. | object_of_study | the paper's words | |
| research_question | how a single toolkit can read and write the many incompatible representations of molecular data Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. | research_question | the paper's words | |
| contribution | Open Babel itself, described for the first time, with a round-trip validation taking the error rate from 8% to 0.01% Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. | contribution | the paper's words | |
| claim_type | method Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. | claim_type | the paper's words | |
| phenomenon | the proliferation of incompatible chemical file formats, which a standard failed to resolve Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. | phenomenon | the paper's words | |
| method | system-or-tool-building Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. also in: system-or-tool-building | method | the paper's words | |
| mechanisms | mechanisms Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. | mechanisms[0] | 0.95 | the tagger's words |
| mechanisms | mechanisms Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. | mechanisms[1] | 0.95 | the tagger's words |
| mechanisms | mechanisms Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. | mechanisms[2] | 0.95 | the tagger's words |
| mechanisms | mechanisms Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. | mechanisms[3] | 0.95 | the tagger's words |
| limitations | TWO round-trip failures remain at 0.01%, and the paper names both: a kekulisation error in a polycyclic aromatic with heteroatoms, and a bridgehead-carbon stereochemistry case Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. | limitations[0] | 0.95 | the tagger's words |
| limitations | Molecules outside the pharmaceutical mainstream - radicals, organometallics, inorganics, coordinate and 3-center 2-electron bonds - are stated to be poorly supported, and not only by this toolkit Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. | limitations[1] | 0.95 | the tagger's words |
| limitations | Kekulisation is exponential and is CUT OFF at 30 levels of recursion or 15 seconds, so large fused ring systems are a known non-answer Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. | limitations[2] | 0.95 | the tagger's words |
| limitations | The standard that was meant to remove the problem did not take: CML exists and is not widely used, which is the premise the whole toolkit rests on Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. | limitations[3] | 0.95 | the tagger's words |
| controls | a round-trip over 18,084 PubChem3D structures: SDF to SMILES to canonical SMILES, compared against SDF straight to canonical SMILES Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. eliminates: errors anywhere in reading SDF, reading and writing SMILES, and canonicalisation - by making two routes to the same answer disagree · outcome (stated by the tagger, no quotation): held | controls[0] | 0.95 | the tagger's words |
| controls | a nightly test suite of 60 programs, each with tens to hundreds of tests Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. eliminates: regressions between releases · outcome (stated by the tagger, no quotation): held | controls[1] | 0.95 | the tagger's words |
| concepts | Open Babel Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. also in: Open Babel | concepts[0] | 0.95 | the paper's words |
| concepts | interconversion Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. also in: interconversion | concepts[1] | 0.95 | the paper's words |
| concepts | Chemical Markup Language Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. also in: Chemical Markup Language | concepts[2] | 0.95 | the paper's words |
| concepts | canonical representation Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. also in: canonical representation | concepts[3] | 0.95 | the paper's words |
| concepts | canonical numbering Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. also in: canonical numbering | concepts[4] | 0.95 | the paper's words |
| concepts | canonicalization Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. also in: canonicalization | concepts[5] | 0.95 | the paper's words |
| concepts | kekulization Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. also in: kekulization | concepts[6] | 0.95 | the paper's words |
| concepts | stereochemistry Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. also in: stereochemistry | concepts[7] | 0.95 | the paper's words |
| concepts | aromaticity Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. also in: aromaticity | concepts[8] | 0.95 | the paper's words |
| concepts | covalent radii Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. also in: covalent radii | concepts[9] | 0.95 | the paper's words |
| concepts | Tanimoto coefficient Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. also in: Tanimoto coefficient | concepts[10] | 0.95 | the paper's words |
| concepts | substructures Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. also in: substructures | concepts[11] | 0.95 | the paper's words |
| concepts | structural similarity Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. also in: structural similarity | concepts[12] | 0.95 | the paper's words |
| concepts | XML dialect Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. also in: XML dialect | concepts[13] | 0.95 | the paper's words |
| concepts | SMILES Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. also in: SMILES | concepts[14] | 0.95 | the paper's words |
| concepts | test suite Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. also in: test suite | concepts[15] | 0.95 | the paper's words |
| concepts | OELib Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. also in: OELib | concepts[16] | 0.95 | the paper's words |
| concepts | OEChem Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. also in: OEChem | concepts[17] | 0.95 | the paper's words |
| concepts | file formats Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. also in: file formats | concepts[18] | 0.95 | the paper's words |
| senses | canonical representation - A CHOICE, NOT A FACT ABOUT THE MOLECULE: the same structure has N! orderings that encode exactly the same information, and canonicalisation picks one so it can be used as a database key Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. | senses[0] | 0.95 | the tagger's words |
| senses | failure - IN THIS PAPER A ROUND-TRIP DISAGREEMENT, not a wrong answer: two routes to the same canonical SMILES are compared against each other, and the second of the two residual failures is a case where BOTH strings are correct and the algorithm merely failed to choose Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. | senses[1] | 0.95 | the tagger's words |
| concept_edges | Chemical Markup Language —is-a→ XML dialect Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. strength of the relation: 1 also in: Chemical Markup Language · XML dialect | concept_edges[0] | the tagger's words | |
| concept_edges | structural similarity —operationalised-as→ Tanimoto coefficient Quotation withheld — this record is not cleared for redistribution. The sentence is in the paper at the link above. strength of the relation: 1 also in: structural similarity · Tanimoto coefficient | concept_edges[2] | the tagger's words |
Tags that could not be placed in the text:
What was deliberately not tagged, and why, is recorded per paper by the tagger. Where a paper has no such record, this page says so rather than implying that nothing was declined.