Optimal Assignment Kernels for ADME in Silico Prediction
نویسنده
چکیده
The development of a new drug is often compared with finding a needle in a haystack (Kubinyi, 2004). Therefore, rational approaches for drug design began to develop about 30 years ago with the aim to significantly reduce the amount of in vivo animal experiments. With the dramatic increase of computer performance during the last years there has been an increasing interest in virtual screening methods (HJ. Böhm & Schneider, 2000). The goal is to filter out a significant amount of “uninteresting” chemicals, that cannot be used as potential drugs, in silico in an early stage of AbsTRACT
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تاریخ انتشار 2015