LightBBB: computational prediction model of blood–brain-barrier penetration based on LightGBM

Abstract Motivation Identification of blood–brain barrier (BBB) permeability of a compound is a major challenge in neurotherapeutic drug discovery. Conventional approaches for BBB permeability measurement are expensive, time-consuming and labor-intensive. BBB permeability is associated with diverse...

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Veröffentlicht in:BIOINFORMATICS 2021-05, Vol.37 (8), p.1135-1139
Hauptverfasser: Shaker, Bilal, Yu, Myeong-Sang, Song, Jin Sook, Ahn, Sunjoo, Ryu, Jae Yong, Oh, Kwang-Seok, Na, Dokyun
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Sprache:eng
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