Exact(3)
Calculated LogD, calculated LogP, numbers of hydrogen bond donor and acceptors and TPSA distributions express aspects of compound polarity.
Hence, this appears to be the first study work where multiple aspects of compound action - phenotypic effect as well as activity on multiple protein targets - were prospectively validated, and where partial compound synergism could be experimentally confirmed.
Recent studies have analyzed different aspects of compound promiscuity on the basis of currently available activity data.
Similar(57)
The structural aspects of compounds 1 and 2 (Additional files 2 and 3) were investigated and compared with those of compound 3 [21].
Different terms are common to describe different aspects of compound-specific antioxidant properties [ 4].
The second function describes the aspects of compounds specific to each cell line.
In addition, the Krafft temperature of G16 was found to be <0 °C, revealing higher solubility aspect of compound.
Modeling of compounds in early clinical development is challenging because of a lack of understanding of many aspects of the compound's PK/ADME behavior.
Each fingerprint captures the chemical aspects of a compound and is stored in the database.
The preclinical and clinical data were reviewed in detail elsewhere [ 22], but key aspects of each compound are highlighted below.
Nevertheless, future studies are needed to further characterise the interaction between TBN and P-gp, and possibly other ATP-binding cassette transporters, and long-term toxicity aspects of the compound.
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