๐Ÿ”ฌ ๋ถ„์ž ๋ฌผ์„ฑ ๋ถ„์„ ์—”์ง„

์ฐธ์กฐ ๋ฐ์ดํ„ฐ: DrugBank & ChEMBL ํ†ต๊ณ„ ๋ชจ๋ธ (n=120)

๋ถ„์„ ๋ฒ„ํŠผ์„ ๋ˆŒ๋Ÿฌ์ฃผ์„ธ์š”.
IDMWHBDHBAHIA%

๐Ÿ“Š ๋ฐ์ดํ„ฐ ๋ถ„ํฌ ๋ฐ ์˜ˆ์ธก ์‹ ๋ขฐ๋„

๐Ÿ“‹ ๋ถ„์„ ๋ฐฉ๋ฒ•๋ก  ๋ฆฌํฌํŠธ
๋ณธ ๋ชจ๋ธ์€ ์ˆ˜์†Œ ๊ฒฐํ•ฉ ์ˆ˜์น˜๊ฐ€ ์ƒ์ฒด๋ง‰ ํˆฌ๊ณผ ์—๋„ˆ์ง€ ์žฅ๋ฒฝ์— ๋ฏธ์น˜๋Š” ์˜ํ–ฅ์„ ์ •๋Ÿ‰์ ์œผ๋กœ ๋ถ„์„ํ•ฉ๋‹ˆ๋‹ค. ํŠนํžˆ HBD ์ˆ˜์น˜๋Š” ์šฉ๋งคํ™” ์—๋„ˆ์ง€(Solvation Energy)์— ๊ธฐ์—ฌํ•˜์—ฌ ํˆฌ๊ณผ์œจ์„ ๊ธ‰๊ฒฉํžˆ ์ €ํ•˜์‹œํ‚ค๋Š” ์ฃผ์š” ๋ณ€์ˆ˜๋กœ ์ž‘์šฉํ•ฉ๋‹ˆ๋‹ค.