{"repo":"Augmented-Nature/PubChem-MCP-Server","free":true,"listed":false,"github":"https://github.com/Augmented-Nature/PubChem-MCP-Server","clone":"git clone https://github.com/Augmented-Nature/PubChem-MCP-Server.git","description":"A comprehensive Model Context Protocol (MCP) server for accessing the PubChem chemical database. This server provides access to over 110 million chemical compounds with extensive molecular properties, bioassay data, and chemical informatics tools.","language":"JavaScript","stars":46,"topics":["cheminformatics","mcp-server","pubchem"],"license":null,"category":"mcp-servers","readme_excerpt":"Unofficial PubChem MCP Server A comprehensive Model Context Protocol (MCP) server for accessing the PubChem chemical database. This server provides access to over 110 million chemical compounds with extensive molecular properties, bioassay data, and chemical informatics tools. Features 🔍 Chemical Search & Retrieval (6 tools) - search compounds - Search by name, CAS number, formula, or identifier - get compound info - Detailed compound information by CID - search by smiles - Exact SMILES string matching - search by inchi - InChI/InChI key search - search by cas number - CAS Registry Number lookup - get compound synonyms - All names and synonyms 🧬 Structure Analysis & Similarity (5 tools) - search similar compounds - Tanimoto similarity search - substructure search - Find compounds containing substructures - superstructure search - Find larger compounds containing query - get 3d conformers - 3D structural information - analyze stereochemistry - Chirality and isomer analysis ⚗️ Chemical Properties & Descriptors (6 tools) - get compound properties - Molecular weight, logP, TPSA, etc. - calculate descriptors - Comprehensive molecular descriptors - predict admet properties - ADMET predictions - assess drug likeness - Lipinski Rule of Five analysis - analyze molecular complexity - Synthetic accessibility - get pharmacophore features - Pharmacophore mapping 🧪 Bioassay & Activity Data (5 tools) - search bioassays - Find biological assays - get assay info - Detailed assay protocols ","default_branch":null,"files":null,"tree":[],"storefront":"/r/Augmented-Nature","claimed":false,"request_supported":{"post":"https://gitbuyer.com/r/Augmented-Nature/PubChem-MCP-Server/request-supported","requests":0},"note":"indexed from public GitHub; nothing is for sale on this page. Clone it from GitHub. Paid listings live at /search."}