Datasets:
Formats:
parquet
Languages:
English
Size:
< 1K
Tags:
smiles
chemistry
cheminformatics
molecular-structures
chemical-notation
chemistry-question-answering
License:
| pretty_name: SMILES Chemistry Multiple-Choice Question Answering Dataset | |
| language: | |
| - en | |
| tags: | |
| - smiles | |
| - chemistry | |
| - cheminformatics | |
| - molecular-structures | |
| - chemical-notation | |
| - chemistry-question-answering | |
| - multiple-choice | |
| - stereochemistry | |
| - molecular-representation | |
| - computational-chemistry | |
| - scientific-question-answering | |
| - educational-ai | |
| - llm | |
| - json | |
| - html | |
| license: cc-by-4.0 | |
| size_categories: | |
| - 1K<n<10K | |
| # SMILES Chemistry Question Answering Dataset | |
| ## Overview | |
| The **SMILES Chemistry Question Answering Dataset** is a chemistry-focused question-answering resource covering Simplified Molecular Input Line Entry System (SMILES) notation, molecular structures, chemical representations, and related chemistry concepts. | |
| The uploaded JSON sample contains multiple-choice questions, answer options, answer indicators, and explanatory text. Questions may include HTML formatting, chemical formulas, mathematical notation, and embedded molecular structure images. | |
| The dataset is intended for applications involving chemistry education, scientific question answering, molecular notation interpretation, and chemistry-focused AI development. | |
| The available dataset formats are JSON, HTML, and PDF. The JSON sample provides a structured representation of questions and answers, while the HTML and PDF files can provide alternative ways to access the content. | |
| ## Dataset Highlights | |
| | Property | Value | | |
| |---|---| | |
| | Primary Domain | Chemistry | | |
| | Main Topic | SMILES notation and molecular chemistry | | |
| | Content Type | Multiple-choice question answering | | |
| | Question Type | Single-select | | |
| | Answer Options | Multiple-choice options | | |
| | Answer Explanations | Included in the inspected JSON sample | | |
| | Language | English text with chemical notation and formulas | | |
| | File Formats | JSON, HTML, PDF | | |
| | Visual Content | Embedded images in some questions | | |
| | Record Count | Not specified | | |
| | License | Not specified | | |
| ## Dataset Features | |
| - Multiple-choice chemistry questions | |
| - SMILES notation and molecular representation topics | |
| - Answer options and structured answer indicators | |
| - Explanatory text associated with questions | |
| - HTML-formatted question content | |
| - Chemical formulas and mathematical notation | |
| - Embedded image data in some question statements | |
| - Section and category metadata in the inspected JSON structure | |
| - Support for document-based and structured-data workflows | |
| ## Subject Coverage | |
| The inspected sample includes questions relating to: | |
| - SMILES syntax and molecular representation | |
| - Ring closures and molecular connectivity | |
| - Molecular structures and chemical compounds | |
| - Stereochemistry and chirality | |
| - Aromaticity and canonical SMILES | |
| - Chemical bonding and formal charges | |
| - Molecular notation interpretation | |
| - Structural and chemical reasoning | |
| This list reflects topics observed in the sample and is not intended to be an exhaustive inventory of the full dataset. | |
| ## Sample Record | |
| The following example illustrates the question structure using a simplified representation of the fields observed in the uploaded JSON file. It is not a verbatim record from the source file. | |
| ```json | |
| { | |
| "answer_type": "single_select", | |
| "q_string": "What does the dot (.) indicate in a SMILES string?", | |
| "q_option": [ | |
| "A ring closure", | |
| "A disconnected component", | |
| "A double bond", | |
| "An aromatic atom" | |
| ], | |
| "q_answer": { | |
| "q_ans": [0, 1, 0, 0], | |
| "q_exp": "In SMILES notation, a dot separates disconnected molecular components." | |
| }, | |
| "category": "Others" | |
| } | |
| ``` | |
| **Schema note:** The source uses nested structures, including `sections`, `sec_questions`, `que`, `q_option`, and `q_answer`. The simplified example above is for readability; consult the source JSON for the complete structure and actual field paths. | |
| ## Dataset Structure | |
| The uploaded JSON sample uses a nested structure resembling the following: | |
| ```text | |
| SMILES_QA_Dataset/ | |
| ├── JSON/ | |
| │ └── SMILES Q&A Sample.json | |
| ├── HTML/ | |
| │ └── [HTML dataset files] | |
| └── PDF/ | |
| └── [PDF dataset files] | |
| ``` | |
| The JSON structure includes fields such as: | |
| - `sections`: Groups questions into sections. | |
| - `sec_name`: Section metadata. | |
| - `sec_questions`: Questions associated with a section. | |
| - `que`: Question objects. | |
| - `answer_type`: Indicates the question format. | |
| - `q_string`: Question text, potentially including HTML and images. | |
| - `q_option`: Answer choices. | |
| - `q_answer`: Answer and explanation information. | |
| - `q_ans`: Answer indicator array in the inspected sample. | |
| - `q_exp`: Answer explanation. | |
| - `category`: Question category. | |
| - `lang_supported`: Language-related metadata. | |
| - `test_name`: Test or assessment name. | |
| - `origin_source`: Source metadata. | |
| This tree and field list should be updated if the complete dataset uses additional files or a different organization. | |
| ## AI Tasks Supported | |
| Potential applications, subject to data suitability and validation, include: | |
| - Chemistry Question Answering | |
| - Multiple-Choice Question Answering | |
| - SMILES Notation Interpretation | |
| - Molecular Structure Understanding | |
| - Scientific Text Understanding | |
| - Chemistry Knowledge Retrieval | |
| - Retrieval-Augmented Generation (RAG) | |
| - Chemistry-Focused Language Model Evaluation | |
| - Educational AI Assistant Development | |
| - Scientific Information Retrieval | |
| Use for model training or fine-tuning should be evaluated against the actual data quality, licensing terms, and intended application. | |
| ## Applications | |
| Potential applications include: | |
| - Chemistry learning assistants | |
| - AI-powered chemistry tutoring | |
| - Digital chemistry education platforms | |
| - Chemistry assessment and quiz systems | |
| - Scientific question-answering applications | |
| - Cheminformatics learning tools | |
| - Molecular notation explanation systems | |
| - Chemistry knowledge retrieval | |
| - Research and educational prototypes | |
| ## Industries | |
| Potentially relevant sectors include: | |
| - Chemical and specialty chemical industries | |
| - Pharmaceutical research and development | |
| - Biotechnology | |
| - Cheminformatics | |
| - Computational chemistry | |
| - Scientific software development | |
| - Higher education and academic research | |
| - Educational technology | |
| - Artificial intelligence and machine learning | |
| These are potential application areas, not claims of existing industry adoption. | |
| ## Advantages | |
| - Structured multiple-choice question format | |
| - Answer indicators and explanatory text in the inspected sample | |
| - Coverage of SMILES and molecular chemistry concepts | |
| - Chemical notation and formula-based content | |
| - Embedded images in some questions | |
| - Multiple available file formats | |
| - Potential suitability for chemistry education and scientific AI workflows | |
| ## Dataset Statistics | |
| | Metric | Value | | |
| |---|---| | |
| | Primary Domain | Chemistry | | |
| | Question Format | Multiple-choice, single-select | | |
| | Language | English text with chemical notation and formulas | | |
| | Available Formats | JSON, HTML, PDF | | |
| | Answer Options | Included in the inspected JSON sample | | |
| | Explanations | Included in the inspected JSON sample | | |
| | Embedded Images | Present in some questions | | |
| | Record Count | Not specified | | |
| | License | Not specified | | |
| ## Intended Audience | |
| This dataset may be relevant to chemistry educators, students, cheminformatics practitioners, scientific software developers, and AI researchers exploring chemistry-focused question answering. | |
| **Data Creation** | |
| Procured through formal agreements and generated in the ordinary course of business. | |
| **Considerations** | |
| This dataset is provided for research and educational purposes only. It contains only sample data. For access to the full dataset and enterprise licensing options, please visit our website [InfoBay.AI](https://infobay.ai/) or contact us directly. | |
| -Ph: +91 9236398619 | |
| -Email: datareq@infobay.ai |