Towards machine learning discovery of dual antibacterial drug–nanoparticle systems
Karel Diéguez‐Santana, Humberto González‐Díaz
Abstract
. 15 different antibiotics, and 12 bacteria species. The IFPTML-LDA model classified correctly 100% (80 out of 80) DADNP complexes as biologically active. IFPMTL additive strategy may become a useful tool to assist the design of DADNP systems for antibacterial therapy taking into consideration only information about AD and NP components by separate.
Topics & Concepts
chEMBLArtificial intelligenceMachine learningArtificial neural networkDrug discoveryMolecular descriptorComputer scienceLinear discriminant analysisNanoparticleNaive Bayes classifierMathematicsAlgorithmBiological systemSupport vector machineMaterials scienceBiologyBioinformaticsNanotechnologyQuantitative structure–activity relationshipComputational Drug Discovery MethodsMachine Learning in Materials ScienceBiosimilars and Bioanalytical Methods