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- W4386704386 endingPage "136" @default.
- W4386704386 startingPage "101" @default.
- W4386704386 abstract "Drug discovery deals with the search for initial hits and their optimization toward a targeted clinical profile. Throughout the discovery pipeline, the candidate profile will evolve, but the optimization will mainly stay a trial-and-error approach. Tons of in silico methods have been developed to improve and fasten this pipeline. Bayesian optimization (BO) is a well-known method for the determination of the global optimum of a function. In the last decade, BO has gained popularity in the early drug design phase. This chapter starts with the concept of black box optimization applied to drug design and presents some approaches to tackle it. Then it focuses on BO and explains its principle and all the algorithmic building blocks needed to implement it. This explanation aims to be accessible to people involved in drug discovery projects. A strong emphasis is made on the solutions to deal with the specific constraints of drug discovery. Finally, a large set of practical applications of BO is highlighted." @default.
- W4386704386 created "2023-09-14" @default.
- W4386704386 creator A5050562187 @default.
- W4386704386 creator A5062687367 @default.
- W4386704386 date "2023-09-14" @default.
- W4386704386 modified "2023-10-16" @default.
- W4386704386 title "Bayesian Optimization in Drug Discovery" @default.
- W4386704386 cites W1508604947 @default.
- W4386704386 cites W1527666879 @default.
- W4386704386 cites W1529817821 @default.
- W4386704386 cites W1693986406 @default.
- W4386704386 cites W1757990252 @default.
- W4386704386 cites W1969513389 @default.
- W4386704386 cites W1975147762 @default.
- W4386704386 cites W1988037271 @default.
- W4386704386 cites W1990810992 @default.
- W4386704386 cites W1992427214 @default.
- W4386704386 cites W2000359198 @default.
- W4386704386 cites W2005126631 @default.
- W4386704386 cites W2020732830 @default.
- W4386704386 cites W2044834685 @default.
- W4386704386 cites W2046588282 @default.
- W4386704386 cites W2056884786 @default.
- W4386704386 cites W2061144551 @default.
- W4386704386 cites W2072550304 @default.
- W4386704386 cites W2078011655 @default.
- W4386704386 cites W2081301924 @default.
- W4386704386 cites W2118143246 @default.
- W4386704386 cites W2151238122 @default.
- W4386704386 cites W2170750237 @default.
- W4386704386 cites W2172024214 @default.
- W4386704386 cites W2186013251 @default.
- W4386704386 cites W2192203593 @default.
- W4386704386 cites W2300160852 @default.
- W4386704386 cites W2596709491 @default.
- W4386704386 cites W2800722845 @default.
- W4386704386 cites W2899587428 @default.
- W4386704386 cites W2901292178 @default.
- W4386704386 cites W2901476322 @default.
- W4386704386 cites W2911789160 @default.
- W4386704386 cites W2947658954 @default.
- W4386704386 cites W2963613699 @default.
- W4386704386 cites W2968265130 @default.
- W4386704386 cites W2969507301 @default.
- W4386704386 cites W2980789587 @default.
- W4386704386 cites W2985931096 @default.
- W4386704386 cites W2998993395 @default.
- W4386704386 cites W3005750793 @default.
- W4386704386 cites W3005772658 @default.
- W4386704386 cites W3007309629 @default.
- W4386704386 cites W3013807302 @default.
- W4386704386 cites W3035302862 @default.
- W4386704386 cites W3043507132 @default.
- W4386704386 cites W3045928028 @default.
- W4386704386 cites W3087318293 @default.
- W4386704386 cites W3094686696 @default.
- W4386704386 cites W3098269892 @default.
- W4386704386 cites W3112474878 @default.
- W4386704386 cites W3126807398 @default.
- W4386704386 cites W3128474010 @default.
- W4386704386 cites W3129638015 @default.
- W4386704386 cites W3172596029 @default.
- W4386704386 cites W3185456481 @default.
- W4386704386 cites W3198229735 @default.
- W4386704386 cites W3201961312 @default.
- W4386704386 cites W3202105508 @default.
- W4386704386 cites W3206064784 @default.
- W4386704386 cites W3210028546 @default.
- W4386704386 cites W3212599765 @default.
- W4386704386 cites W4226032726 @default.
- W4386704386 cites W4226159083 @default.
- W4386704386 cites W4234228486 @default.
- W4386704386 cites W4254115559 @default.
- W4386704386 cites W4281257107 @default.
- W4386704386 cites W4281658582 @default.
- W4386704386 cites W4282041603 @default.
- W4386704386 cites W4283075725 @default.
- W4386704386 cites W4287124025 @default.
- W4386704386 cites W4287282210 @default.
- W4386704386 cites W4288066876 @default.
- W4386704386 cites W4289761856 @default.
- W4386704386 cites W4290075791 @default.
- W4386704386 cites W4290851843 @default.
- W4386704386 cites W4293217666 @default.
- W4386704386 cites W4293802560 @default.
- W4386704386 cites W4297008157 @default.
- W4386704386 cites W4297779993 @default.
- W4386704386 cites W4306313267 @default.
- W4386704386 cites W4306845856 @default.
- W4386704386 cites W4307006196 @default.
- W4386704386 cites W4308526979 @default.
- W4386704386 cites W4309438657 @default.
- W4386704386 cites W4310878862 @default.
- W4386704386 cites W4311001462 @default.
- W4386704386 cites W4311361835 @default.
- W4386704386 cites W4311376455 @default.
- W4386704386 cites W4311904331 @default.
- W4386704386 cites W4313531775 @default.