4 . 14 Chemoinformatics
نویسنده
چکیده
4.14.
منابع مشابه
4th German Conference on Chemoinformatics: 22. CIC-Workshop. November 9–11, 2008, Goslar, Germany
From the 9th to the 11th November 2008, the ChemistryInformation-Computers (CIC) division of the German Chemical Society (GDCh) has invited the chemoinformatics and modeling community to Goslar, Germany to participate in the 4th German Conference on Chemoinformatics (GCC). Almost 200 participants from 14 countries accepted the invitation making the event again one of the largest chemoinformatic...
متن کاملTwo New Graph Kernels and Applications to Chemoinformatics
Chemoinformatics is a well established research field concerned with the discovery of molecule’s properties through informational techniques. Computer science’s research fields mainly concerned by the chemoinformatics field are machine learning and graph theory. From this point of view, graph kernels provide a nice framework combining machine learning techniques with graph theory. Such kernels ...
متن کاملChemoinformatics in drug development
It would be unimaginable to prosecute a drug discovery program without applying appropriate chemoinformatics analyses. In recent years a focus on target affinity and activity has been complemented by techniques to address physico-chemical properties such as lipophilicity and solubility, biological properties such as absorption, distribution, metabolism, elimination and toxicity. As such, a roun...
متن کاملHalf-Century Journey from Synthetic Organic Chemistry to Mathematical Stereochemistry through Chemoinformatics
My half-century journey started from synthetic organic chemistry. During the first stage of my journey, my interest in stereochemistry was initiated through the investigation on the participation of steric effects in reactive intermediates, cylophanes, strained heterocycles, and organic compounds for photography. In chemoinformatics as the next stage of the journey, I proposed the concept of im...
متن کاملQuantifying the Relationships among Drug Classes
The similarity of drug targets is typically measured using sequence or structural information. Here, we consider chemo-centric approaches that measure target similarity on the basis of their ligands, asking how chemoinformatics similarities differ from those derived bioinformatically, how stable the ligand networks are to changes in chemoinformatics metrics, and which network is the most reliab...
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تاریخ انتشار 2009