structure-based, and hybrids or consensus-based; classification theoretical discipline-based: chemoinformatics, molecular modeling, bioinformatics, or computational and theoretical chemistry; classification approach-based: data driven and hypothesis driven; Representative examples of methods used:...
Potential drug–drug interactions mediated by ATP-binding cassette (ABC) and solute carrier (SLC) transporters are of clinical and regulatory concern, but the endogenous function of these drug transporters is unclear. Nigam describes the evidence that th
Such QSAR and pharmacophore models are beginning to appear [55]. Non-discriminating experiments I have concentrated on experiments and data that seem to pertain to the predictions of PBIN. However, I am mindful that there is a danger of researchers proposing experiments that, however superficially...
Moreover, conjugates of this type are one of the few examples of bioactive molecules that contain a pharmacophore/modulator that does not exist in nature and is an abiotic and man-made structure with quite unusual electronic and physicochemical properties [4,8]. This has significant implications ...
There are 6 molecules representing novel classes of antibiotics but only one of these, murepavadin, is expected to have activity against a Gram-negative pathogenic bacterium (Pseudomonas aeruginosa). Although the new analogues of existing classes, and novel combinations, have been designed to address...
以下哪项是正确洗手“六步法”的步骤：①先把手放在水龙头下淋湿；⑥在手掌上抹肥皂或洗手液，均匀涂抹，搓出泡沫，让手掌、手背、手指、指缝等都沾满肥皂泡沫，然后反复搓揉双手及腕部；④两手心互相摩擦；③手心、手背相互搓揉；⑤两手交叉着洗，清洗手指间隙；②将手放在水龙头下冲洗干净。（ ）。
Conventional in silico modeling is often viewed as ‘one-target’ or ‘single-task’ computer-aided modeling since it mainly relies on forecasting an endpoint of interest from similar input data. Multitasking or multitarget in silico modeling, in contrast, embraces a set of computational techniques...
Lead Finder satisfies the needs of computational chemists and medicinal chemists involved in the discovery process, pharmacologists and toxicologists involved in the modeling and evaluation of ADMET properties in silico, and biochemists and enzymologists working on enzyme specificity and rational enzyme...
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In Silico modelingQSARpharmacophoreCoMFANo abstract is available for this article.doi:10.1111/j.1365-2036.2012.05186.xR. LoombaJohn Wiley & Sons, Ltd (10.1111)Alimentary Pharmacology & TherapeuticsYu Z, Wong VW.-S. Commentary: new tools to assess hepatic steatosis - what do we want to measure...