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Only 578 of these molecules were also found in SureChEMBL.
Some commercially available molecules were also tested for comparison reasons.
The iron-chelating properties of these molecules were also determined.
In the simulations, 35 water molecules were also added to the surface of the DOM molecule.
Only 469 (out of 950) of these molecules were also found in IBM SIIP.
Proposed targets for some of these molecules were also identified in these publications, in some cases.
Integral membrane molecules were also identified which could be possible receptors facilitating interaction with Plasmodium species.
The thermal analyses of the synthesized molecules were also carried out by TGA/DSC method.
These selective molecules were also exhibited small atom hydrophobicity and H-bond interaction with water molecule.
Monocyclic molecules were also abundant, in particular cyclic terpenes such as limonene or menthol and aromatics such as cinnamaldehyde.
Finally, six low-scoring neutral molecules were also tested, with a view to looking for false negative predictions.
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