Cheminformatics


Ontology type: npg:Subject  | skos:Concept     


Concept Info

NAME

Cheminformatics

DESCRIPTION

Cheminformatics is the use of computational and informational techniques to understand problems of chemistry, for instance in the in silico mapping of chemical space – the theoretical space occupied by all possible chemicals and molecules. Cheminformatics strategies are useful in drug discovery and other efforts where large numbers of compounds are being evaluated for specific properties.

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111 sg:ontologies/subjects/polymer-chemistry
112 sg:ontologies/subjects/process-chemistry
113 sg:ontologies/subjects/supramolecular-chemistry
114 sg:ontologies/subjects/surface-chemistry
115 sg:ontologies/subjects/synthesis
116 sg:ontologies/subjects/theoretical-chemistry
117 skos:prefLabel Chemistry
118 sg:ontologies/subjects/medicinal-chemistry sgo:sdDataset onto_subjects
119 rdf:type npg:Subject
120 skos:Concept
121 rdfs:label Medicinal chemistry
122 skos:altLabel Drug Formulation
123 Drug Formulations
124 Pharmaceutic Chemistry
125 Pharmaceutical Chemistry
126 skos:broader sg:ontologies/subjects/chemistry
127 sg:ontologies/subjects/drug-discovery
128 skos:definition Medicinal chemistry deals with the design, optimization and development of chemical compounds for use as drugs. It is inherently a multidisciplinary topic — beginning with the synthesis of potential drugs followed by studies investigating their interactions with biological targets to understand the medicinal effects of the drug, its metabolism and side-effects.
129 skos:inScheme sg:ontologies/subjects/
130 skos:narrower sg:ontologies/subjects/chemical-libraries
131 sg:ontologies/subjects/cheminformatics
132 sg:ontologies/subjects/computational-chemistry
133 sg:ontologies/subjects/drug-delivery
134 sg:ontologies/subjects/drug-discovery-and-development
135 sg:ontologies/subjects/lead-optimization
136 sg:ontologies/subjects/pharmacology
137 sg:ontologies/subjects/screening
138 sg:ontologies/subjects/structure-based-drug-design
139 sg:ontologies/subjects/target-identification
140 sg:ontologies/subjects/target-validation
141 skos:prefLabel Medicinal chemistry
142 skos:Concept sgo:sdDataset for_codes
143 rdf:type rdfs:Class
144 rdfs:Resource
145 rdfs:subClassOf rdfs:Resource
146 skos:Concept
 




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