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false, "required_on_update": false, "prohibited_on_update": false }, "name": "HasOne" } ], "rules": { "all": [], "create": [], "update": [] } } } } } } }, "description": "Get every detail about the resource according to the current user connected", "security": [ { "sanctum": [] } ] }, "delete": { "tags": [ "Properties" ], "summary": "Perform a destroy request", "responses": { "default": { "description": "", "content": { "application\/json": { "example": { "data": [], "meta": [] } } } } }, "description": "Delete database records using primary key", "requestBody": { "content": { "application\/json": { "example": { "resources": [ 1, 5, 6 ] } } } }, "security": [ { "sanctum": [] } ] } }, "\/api\/properties\/search": { "post": { "tags": [ "Properties" ], "summary": "Perform a search request", "responses": { "default": { "description": "", "content": { "application\/json": { "example": { "data": [], "meta": [] } } } } }, "description": "Crunch the Api's data with multiple attributes", "requestBody": { "content": { "application\/json": { "example": { "search": { "scopes": [], "filters": [ { "field": "total_atom_count", "operator": "=", "value": "" }, { "field": "heavy_atom_count", "operator": "=", "value": "" }, { "field": "molecular_weight", "operator": "=", "value": "" }, { "field": "exact_molecular_weight", "operator": "=", "value": "" }, { "field": "molecular_formula", "operator": "=", "value": "" }, { "field": "alogp", "operator": "=", "value": "" }, { "field": "topological_polar_surface_area", "operator": "=", "value": "" }, { "field": "rotatable_bond_count", "operator": "=", "value": "" }, { "field": "hydrogen_bond_acceptors", "operator": "=", "value": "" }, { "field": "hydrogen_bond_donors", "operator": "=", "value": "" }, { "field": "hydrogen_bond_acceptors_lipinski", "operator": "=", "value": "" }, { "field": "hydrogen_bond_donors_lipinski", "operator": "=", "value": "" }, { "field": "lipinski_rule_of_five_violations", "operator": "=", "value": "" }, { "field": "aromatic_rings_count", "operator": "=", "value": "" }, { "field": "qed_drug_likeliness", "operator": "=", "value": "" }, { "field": "formal_charge", "operator": "=", "value": "" }, { "field": "fractioncsp3", "operator": "=", "value": "" }, { "field": "number_of_minimal_rings", "operator": "=", "value": "" }, { "field": "van_der_walls_volume", "operator": "=", "value": "" }, { "field": "contains_sugar", "operator": "=", "value": "" }, { "field": "contains_ring_sugars", "operator": "=", "value": "" }, { "field": "contains_linear_sugars", "operator": "=", "value": "" }, { "field": "murcko_framework", "operator": "=", "value": "" }, { "field": "np_likeness", "operator": "=", "value": "" }, { "field": "chemical_class", "operator": "=", "value": "" }, { "field": "chemical_sub_class", "operator": "=", "value": "" }, { "field": "chemical_super_class", "operator": "=", "value": "" }, { "field": "direct_parent_classification", "operator": "=", "value": "" }, { "field": "np_classifier_pathway", "operator": "=", "value": "" }, { "field": "np_classifier_superclass", "operator": "=", "value": "" }, { "field": "np_classifier_class", "operator": "=", "value": "" }, { "field": "np_classifier_is_glycoside", "operator": "=", "value": "" } ], "sorts": [ { "field": "total_atom_count", "direction": "desc" }, { "field": "heavy_atom_count", "direction": "desc" }, { "field": "molecular_weight", "direction": "desc" }, { "field": "exact_molecular_weight", "direction": "desc" }, { "field": "molecular_formula", "direction": "desc" }, { "field": "alogp", "direction": "desc" }, { "field": "topological_polar_surface_area", "direction": "desc" }, { "field": "rotatable_bond_count", "direction": "desc" }, { "field": "hydrogen_bond_acceptors", "direction": "desc" }, { "field": "hydrogen_bond_donors", "direction": "desc" }, { "field": "hydrogen_bond_acceptors_lipinski", "direction": "desc" }, { "field": "hydrogen_bond_donors_lipinski", "direction": "desc" }, { "field": "lipinski_rule_of_five_violations", "direction": "desc" }, { "field": "aromatic_rings_count", "direction": "desc" }, { "field": "qed_drug_likeliness", "direction": "desc" }, { "field": "formal_charge", "direction": "desc" }, { "field": "fractioncsp3", "direction": "desc" }, { "field": "number_of_minimal_rings", "direction": "desc" }, { "field": "van_der_walls_volume", "direction": "desc" }, { "field": "contains_sugar", "direction": "desc" }, { "field": "contains_ring_sugars", "direction": "desc" }, { "field": "contains_linear_sugars", "direction": "desc" }, { "field": "murcko_framework", "direction": "desc" }, { "field": "np_likeness", "direction": "desc" }, { "field": "chemical_class", "direction": "desc" }, { "field": "chemical_sub_class", "direction": "desc" }, { "field": "chemical_super_class", "direction": "desc" }, { "field": "direct_parent_classification", "direction": "desc" }, { "field": "np_classifier_pathway", "direction": "desc" }, { "field": "np_classifier_superclass", "direction": "desc" }, { "field": "np_classifier_class", "direction": "desc" }, { "field": "np_classifier_is_glycoside", "direction": "desc" } ], "selects": [ { "field": "total_atom_count" }, { "field": "heavy_atom_count" }, { "field": "molecular_weight" }, { "field": "exact_molecular_weight" }, { "field": "molecular_formula" }, { "field": "alogp" }, { "field": "topological_polar_surface_area" }, { "field": "rotatable_bond_count" }, { "field": "hydrogen_bond_acceptors" }, { "field": "hydrogen_bond_donors" }, { "field": "hydrogen_bond_acceptors_lipinski" }, { "field": "hydrogen_bond_donors_lipinski" }, { "field": "lipinski_rule_of_five_violations" }, { "field": "aromatic_rings_count" }, { "field": "qed_drug_likeliness" }, { "field": "formal_charge" }, { "field": "fractioncsp3" }, { "field": "number_of_minimal_rings" }, { "field": "van_der_walls_volume" }, { "field": "contains_sugar" }, { "field": "contains_ring_sugars" }, { "field": "contains_linear_sugars" }, { "field": "murcko_framework" }, { "field": "np_likeness" }, { "field": "chemical_class" }, { "field": "chemical_sub_class" }, { "field": "chemical_super_class" }, { "field": "direct_parent_classification" }, { "field": "np_classifier_pathway" }, { "field": "np_classifier_superclass" }, { "field": "np_classifier_class" }, { "field": "np_classifier_is_glycoside" } ], "includes": [ { "relation": "molecule" } ], "aggregates": [], "instructions": [], "gates": [ "create", "update", "delete" ], "page": 1, "limit": 10 } } } } }, "security": [ { "sanctum": [] } ] } }, "\/api\/properties\/mutate": { "post": { "tags": [ "Properties" ], "summary": "Perform a mutate request", "responses": { "default": { "description": "", "content": { "application\/json": { "example": { "created": [ 1 ], "updated": [ 2, 3 ] } } } } }, "description": "Create \/ Modify the database data with multiple options", "requestBody": { "content": { "application\/json": { "example": { "mutate": [ { "operation": "create", "attributes": { "total_atom_count": "", "heavy_atom_count": "", "molecular_weight": "", "exact_molecular_weight": "", "molecular_formula": "", "alogp": "", "topological_polar_surface_area": "", "rotatable_bond_count": "", "hydrogen_bond_acceptors": "", "hydrogen_bond_donors": "", "hydrogen_bond_acceptors_lipinski": "", "hydrogen_bond_donors_lipinski": "", "lipinski_rule_of_five_violations": "", "aromatic_rings_count": "", "qed_drug_likeliness": "", "formal_charge": "", "fractioncsp3": "", "number_of_minimal_rings": "", "van_der_walls_volume": "", "contains_sugar": "", "contains_ring_sugars": "", "contains_linear_sugars": "", "murcko_framework": "", "np_likeness": "", "chemical_class": "", "chemical_sub_class": "", "chemical_super_class": "", "direct_parent_classification": "", "np_classifier_pathway": "", "np_classifier_superclass": "", "np_classifier_class": "", "np_classifier_is_glycoside": "" }, "relations": { "molecule": { "operation": "update", "key": 1 } } } ] } } } }, "security": [ { "sanctum": [] } ] } }, "\/api\/properties\/actions\/{action}": { "parameters": { "0": { "name": "action", "in": "path", "description": "The action uriKey", "required": true, "schema": { "type": "string" } }, "security": [ { "sanctum": [] } ] }, "post": { "tags": [ "Properties" ], "summary": "Perform an action request", "responses": { "default": { "description": "", "content": { "application\/json": { "example": { "data": { "impacted": 2 } } } } } }, "description": "Launch actions", "requestBody": { "content": { "application\/json": { "example": { "search": { "filters": [ { "field": "has_received_welcome_notification", "value": false } ] }, "fields": [ { "name": "expires_at", "value": "2023-04-29" } ] } } } }, "security": [ { "sanctum": [] } ] } }, "\/api\/reports": { "get": { "tags": [ "Reports" ], "summary": "Get the resource detail", "responses": { "default": { "description": "", "content": { "application\/json": { "example": { "data": { "actions": [], "instructions": [], "scout_instructions": [], "fields": [ "title", "evidence", "comment", "suggested_changes" ], "scout_fields": [], "limits": [ 10, 25, 50 ], "scopes": [], "relations": [], "rules": { "all": { "title": "required" }, "create": { "suggested_changes.new_molecule_data.canonical_smiles": "required", "suggested_changes.new_molecule_data.references": "required|array", "suggested_changes.new_molecule_data.references.*.doi": "required" }, "update": [] } } } } } } }, "description": "Get every detail about the resource according to the current user connected", "security": [ { "sanctum": [] } ] }, "delete": { "tags": [ "Reports" ], "summary": "Perform a destroy request", "responses": { "default": { "description": "", "content": { "application\/json": { "example": { "data": [], "meta": [] } } } } }, "description": "Delete database records using primary key", "requestBody": { "content": { "application\/json": { "example": { "resources": [ 1, 5, 6 ] } } } }, "security": [ { "sanctum": [] } ] } }, "\/api\/reports\/search": { "post": { "tags": [ "Reports" ], "summary": "Perform a search request", "responses": { "default": { "description": "", "content": { "application\/json": { "example": { "data": [], "meta": [] } } } } }, "description": "Crunch the Api's data with multiple attributes", "requestBody": { "content": { "application\/json": { "example": { "search": { "scopes": [], "filters": [ { "field": "title", "operator": "=", "value": "" }, { "field": "evidence", "operator": "=", "value": "" }, { "field": "comment", "operator": "=", "value": "" }, { "field": "suggested_changes", "operator": "=", "value": "" } ], "sorts": [ { "field": "title", "direction": "desc" }, { "field": "evidence", "direction": "desc" }, { "field": "comment", "direction": "desc" } ], "selects": [ { "field": "title" }, { "field": "evidence" }, { "field": "comment" }, { "field": "suggested_changes" } ], "includes": [], "aggregates": [], "instructions": [], "gates": [ "create", "update", "delete" ], "page": 1, "limit": 10 } } } } }, "security": [ { "sanctum": [] } ] } }, "\/api\/reports\/mutate": { "post": { "tags": [ "Reports" ], "summary": "Perform a mutate request", "responses": { "default": { "description": "", "content": { "application\/json": { "example": { "created": [ 1 ], "updated": [ 2, 3 ] } } } } }, "description": "Create \/ Modify the database data with multiple options", "requestBody": { "content": { "application\/json": { "example": { "mutate": [ { "operation": "create", "attributes": { "title": "", "evidence": "", "comment": "", "suggested_changes": "" }, "relations": [] } ] } } } }, "security": [ { "sanctum": [] } ] } }, "\/api\/reports\/actions\/{action}": { "parameters": { "0": { "name": "action", "in": "path", "description": "The action uriKey", "required": true, "schema": { "type": "string" } }, "security": [ { "sanctum": [] } ] }, "post": { "tags": [ "Reports" ], "summary": "Perform an action request", "responses": { "default": { "description": "", "content": { "application\/json": { "example": { "data": { "impacted": 2 } } } } } }, "description": "Launch actions", "requestBody": { "content": { "application\/json": { "example": { "search": { "filters": [ { "field": "has_received_welcome_notification", "value": false } ] }, "fields": [ { "name": "expires_at", "value": "2023-04-29" } ] } } } }, "security": [ { "sanctum": [] } ] } }, "\/api\/auth\/login": { "post": { "tags": [ "Authentication" ], "summary": "Login endpoint", "responses": { "default": { "description": "Login successful", "content": { "application\/json": { "schema": { "type": "object", "properties": { "access_token": { "type": "string" }, "token_type": { "type": "string" } } } } } } }, "requestBody": { "content": { "application\/json": { "example": { "email": "john@example.com", "password": "password" } } } } } }, "\/api\/auth\/logout": { "get": { "tags": [ "Authentication" ], "summary": "Logout endpoint", "responses": { "default": { "description": "Logout successful", "content": { "application\/json": { "schema": { "type": "object", "properties": { "logout": { "type": "string" } } } } } } }, "security": [ { "sanctum": [] } ] } }, "\/api\/auth\/register": { "post": { "tags": [ "Authentication" ], "summary": "Register endpoint", "responses": { "default": { "description": "Successfully created user", "content": { "application\/json": { "schema": { "type": "object", "properties": { "success": { "type": "boolean" }, "message": { "type": "string" }, "token": { "type": "string" } } } } } } }, "requestBody": { "content": { "application\/json": { "example": { "first_name": "John", "last_name": "Doe", "username": "JDoe", "affiliation": "JD", "email": "john@example.com", "password": "password", "password_confirmation": "password" } } } } } }, "\/api\/search": { "parameters": [ { "name": "query", "in": "query", "description": "Search query string", "required": false, "schema": { "type": "string" } }, { "name": "sort", "in": "query", "description": "Sorting option", "required": false, "schema": { "type": "string" } }, { "name": "type", "in": "query", "description": "Type filter", "required": false, "schema": { "type": "string" } }, { "name": "tagType", "in": "query", "description": "Tag type filter", "required": false, "schema": { "type": "string" } }, { "name": "page", "in": "query", "description": "Page number for pagination", "required": false, "schema": { "type": "integer" } }, { "name": "limit", "in": "query", "description": "Number of results per page", "required": false, "schema": { "type": "integer" } }, { "name": "offset", "in": "query", "description": "Offset for pagination", "required": false, "schema": { "type": "integer" } } ], "post": { "tags": [ "Advanced Search" ], "summary": "Advanced Molecule Search", "responses": { "default": { "description": "Successful operation", "content": { "application\/json": { "example": { "data": [ { "identifier": "CNP0228556.0", "canonical_smiles": "CN1C(=O)C2=C(N=CN2C)N(C)C1=O", "annotation_level": 5, "name": "caffeine", "iupac_name": "1,3,7-trimethylpurine-2,6-dione", "organism_count": 135, "citation_count": 12, "geo_count": 3, "collection_count": 31 } ], "current_page": 1, "total": 100, "per_page": 24 } } } }, "\"500\"": { "description": "Server Error", "content": { "application\/json": { "example": { "message": "An error occurred during the search operation." } } } } }, "description": "# Advanced Molecule Search\n\nAdvanced search supports searching for molecules based on complex criteria.\n\n## 1. Tag-Based Search (type=tags)\nSearch molecules based on the following tag types:\n\n* **dataSource**: Search by collection title\n - Example: `type=tags, tagType=dataSource, query=collection_name`\n\n* **organisms**: Search by organism names (comma-separated)\n - Example: `type=tags, tagType=organisms, query=organism_name1,organism_name2`\n\n* **citations**: Search by DOI or title (comma-separated)\n - Example: `type=tags, tagType=citations, query=doi1,doi2,title1,title2`\n\n## 2. Filter-Based Search (type=filters)\n\n### Molecular Properties\n* `tac`: Total Atom Count (1-1071)\n* `hac`: Heavy Atom Count (0-551)\n* `mw`: Molecular Weight (5.01-7860.71)\n* `emw`: Exact Molecular Weight (1.00728-7855.66038)\n* `mrc`: Number of Minimal Rings (0-51)\n* `vdwv`: Van der Walls Volume (10.14-5177.31)\n* `fc`: Formal Charge (-8 to 7)\n\n### Chemical Properties\n* `alogp`: ALogP (-82.67 to 67.03)\n* `topopsa`: Topological Polar Surface Area (0.00-3453.72)\n* `fcsp3`: Fraction CSP3 (0.00-1.00)\n* `np`: NP Likeness (-3.53 to 4.12)\n* `qed`: QED Drug Likeliness (0.00-0.95)\n\n### Structural Features\n* `rbc`: Rotatable Bond Count (0-224)\n* `arc`: Aromatic Rings Count (0-31)\n* `hba`: Hydrogen Bond Acceptors (0-191)\n* `hbd`: Hydrogen Bond Donors (0-116)\n\n### Lipinski Parameters\n* `lhba`: Lipinski H-Bond Acceptors (0-191)\n* `lhbd`: Lipinski H-Bond Donors (0-116)\n* `lro5v`: Lipinski Rule of 5 Violations (0-4)\n\n### Sugar-Related Properties\n* `cs`: Contains Sugar (true\/false)\n* `crs`: Contains Ring Sugars (true\/false)\n* `cls`: Contains Linear Sugars (true\/false)\n\n### Classyfire Classifications\n* `class`: Chemical Class\n - Example: 1,2-diaryl-2-propen-1-ols\n* `subclass`: Chemical Sub Class\n - Example: 1,1'-azonaphthalenes\n* `superclass`: Chemical Super Class\n - Example: Acetylides\n* `parent`: Direct Parent Classification\n - Example: 1,1'-azonaphthalenes\n\n### Natural Product Classifications\n* `np_pathway`: NP Classifier Pathway\n - Example: Amino acids and Peptides\n* `np_superclass`: NP Classifier Superclass\n - Example: Aminosugars and aminoglycosides\n* `np_class`: NP Classifier Class\n - Example: 2-arylbenzofurans\n* `np_glycoside`: NP Classifier Is Glycoside (true\/false)\n\n### Filter Query Examples\n* Range query:\n ```\n type=filters&q=tac:4..6\n ```\n* Boolean query:\n ```\n type=filters&q=cs:true\n ```\n* Classification query:\n ```\n type=filters&q=class:1,2-diaryl-2-propen-1-ols\n ```\n* Multiple conditions:\n ```\n type=filters&q=tac:4..6 mw:100..200\n ```\n* Complex query with OR:\n ```\n type=filters&q=tac:4..6 cs:true OR mw:100..200\n ```\n\n## 3. Basic Search (type not specified)\nSearch molecules by name, SMILES, InChI, or InChI Key.\n\n* Simply provide the search term in the query parameter\n* Example: `query=caffeine`\n", "requestBody": { "content": { "application\/json": { "example": { "type": "filters", "tagType": "", "query": "tac:4..6", "limit": 20, "sort": "desc", "page": 1, "offset": 0 } } } } } } }, "servers": [ { "url": "\/", "description": "The current server" } ], "security": [], "components": { "securitySchemes": { "sanctum": { "type": "apiKey", "scheme": "Bearer", "description": "Enter token in format (Bearer \\)", "name": "Authorization", "in": "header" } } } }