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Št. zadetkov: 3
Samostojni znanstveni sestavek ali poglavje v monografski publikaciji
Oznake: biokemija;DNA;toksičnost;tuberkoloza;farmacija;
Integrated in silico methods for the design and optimization of novel drug candidates
Leto: 2015 Vir: Kemijski inštitut (KI)
Izvirni znanstveni članek
Oznake: antibacterial agents;combiChem;DNA gyrase;fluoroquinolones;molecular docking;pharmacophore modeling;QSAR;tuberculosis;
The virtual combinatorial chemistry approach as a methodology for generating chemical libraries of structurally-similar analogs in a virtual environment was employed for building a general mixed virtual combinatorial library with a total of 53.871 6-FQ structural analogs, introducing the real synthe ...
Leto: 2012 Vir: Naravoslovnotehniška fakulteta (UL NTF)
Izvirni znanstveni članek
Oznake: QSAR;modeling;ranking;method comparison;neural networks;prediction of antituberculosis activity;
CP-ANN technique was used to build 54 different QSAR models. The models were built for three sets (assays) of fluoroquinolones considering their antituberculosis activity and using different technical parameters (dimension of network and number of learning epochs). The models served as a reliable ba ...
Leto: 2010 Vir: dLib.si Digitalna knjižnica Slovenije
Št. zadetkov: 3
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