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Organik birikmalarning biologik aktivligini kompyuterli prediktorlarini taqqoslash

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MAQOLA ANNOTATSIYASI

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Odatda, Virtual skriningda ko‘pchilik foydalanuvchilar kompyuterli prediktor qurish uchun QSAR modellashtirishdan foydaniladi yoki ularning tajriba va/yoki vositalari mavjudligiga qarab kimyoviy o‘xshashlik asosida yondashiladi. Ishning maqsadi bu ikkita asosiy yondashuv bilan bitta etalondagi ma’lumotlarni solishtirish bo‘yicha ishlarning tavsiflanishi, bunda o‘rganilayotgan va tashqi ma’lumotlar to‘plamlaridagi bashoratlash aniqligini hisobga olish bilan bashoratlash samaradorligi taqqoslandi. SEA, PASS va KNN QSAR- on-layn paketlar ko‘rinishida amalga oshirilib, biologik aktivlikni prognoz qiladigan ikkita metod taqdim etilgan. Hisoblash natijalari ikkinchi sxema afzalligini ko‘rsatdi. Mazkur ishda qaralgan metodlar kimyoviy biblotekalarni biologik skriningi sohasida ishlaydigan kimyogarlar va eksprimental biologlarga foydali bo‘lishi kerak.

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# виртуальный скрининг# QSAR моделирование# валидация моделей# пакеты PASS# SEA# virtual screening# QSAR modeling# model validation# PASS# virtual skrining# QSAR modellashtirish# modellarni tekshirish# SEA paketlar

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