Cheminformatics and computational chemistry in lead optimisation
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چکیده
منابع مشابه
Cheminformatics and computational chemistry in lead optimisation
Lead Optimisation is the process by which a chemical lead series is improved with regard to multiple properties. These properties will vary from project to project but typically include affinity at the target protein, ADME properties and certain toxicological end-points. Techniques from computational chemistry and cheminformatics have a key role to play in many aspects of lead optimisation. A n...
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ژورنال
عنوان ژورنال: Journal of Cheminformatics
سال: 2011
ISSN: 1758-2946
DOI: 10.1186/1758-2946-3-s1-o5