Toward structure–multiple activity relationships (SMARts) using computational approaches: A polypharmacological perspective
Edgar López‐López, José L. Medina‐Franco
Topics & Concepts
CheminformaticsDrug repositioningRepurposingComputer scienceDrug discoveryChemical spaceIn silicoPrioritizationIdentification (biology)Computational biologyData scienceDrugBioinformaticsManagement scienceChemistryPharmacologyBiologyEngineeringBotanyGeneEcologyBiochemistryComputational Drug Discovery MethodsMicrobial Natural Products and BiosynthesisSynthesis and biological activity