Matches in SemOpenAlex for { <https://semopenalex.org/work/W3045647619> ?p ?o ?g. }
- W3045647619 endingPage "2000171" @default.
- W3045647619 startingPage "2000171" @default.
- W3045647619 abstract "This review seeks to provide a timely survey of the scope and limitations of cheminformatics methods in natural product-based drug discovery. Following an overview of data resources of chemical, biological and structural information on natural products, we discuss, among other aspects, in silico methods for (i) data curation and natural products dereplication, (ii) analysis, visualization, navigation and comparison of the chemical space, (iii) quantification of natural product-likeness, (iv) prediction of the bioactivities (virtual screening, target prediction), ADME and safety profiles (toxicity) of natural products, (v) natural products-inspired de novo design and (vi) prediction of natural products prone to cause interference with biological assays. Among the many methods discussed are rule-based, similarity-based, shape-based, pharmacophore-based and network-based approaches, docking and machine learning methods." @default.
- W3045647619 created "2020-08-03" @default.
- W3045647619 creator A5062698299 @default.
- W3045647619 creator A5065353728 @default.
- W3045647619 date "2020-09-06" @default.
- W3045647619 modified "2023-10-11" @default.
- W3045647619 title "Cheminformatics in Natural Product‐based Drug Discovery" @default.
- W3045647619 cites W1487878063 @default.
- W3045647619 cites W1757990252 @default.
- W3045647619 cites W1963645901 @default.
- W3045647619 cites W1971527053 @default.
- W3045647619 cites W1975875968 @default.
- W3045647619 cites W1982785933 @default.
- W3045647619 cites W1988138261 @default.
- W3045647619 cites W1997036098 @default.
- W3045647619 cites W1998462789 @default.
- W3045647619 cites W2002955079 @default.
- W3045647619 cites W2005688310 @default.
- W3045647619 cites W2006607885 @default.
- W3045647619 cites W2007692024 @default.
- W3045647619 cites W2009586290 @default.
- W3045647619 cites W2010453137 @default.
- W3045647619 cites W2010729433 @default.
- W3045647619 cites W2011451331 @default.
- W3045647619 cites W2019252486 @default.
- W3045647619 cites W2022125914 @default.
- W3045647619 cites W2022444336 @default.
- W3045647619 cites W2025948031 @default.
- W3045647619 cites W2027065525 @default.
- W3045647619 cites W2031367664 @default.
- W3045647619 cites W2031913739 @default.
- W3045647619 cites W2041620837 @default.
- W3045647619 cites W2041774091 @default.
- W3045647619 cites W2042225990 @default.
- W3045647619 cites W2043509228 @default.
- W3045647619 cites W2043857517 @default.
- W3045647619 cites W2047769797 @default.
- W3045647619 cites W2052933929 @default.
- W3045647619 cites W2057117299 @default.
- W3045647619 cites W2060531713 @default.
- W3045647619 cites W2061741442 @default.
- W3045647619 cites W2063289178 @default.
- W3045647619 cites W2064428412 @default.
- W3045647619 cites W2064963922 @default.
- W3045647619 cites W2065829518 @default.
- W3045647619 cites W2067253662 @default.
- W3045647619 cites W2067508844 @default.
- W3045647619 cites W2069457036 @default.
- W3045647619 cites W2070789802 @default.
- W3045647619 cites W2074025270 @default.
- W3045647619 cites W2074890788 @default.
- W3045647619 cites W2074933921 @default.
- W3045647619 cites W2076186247 @default.
- W3045647619 cites W2081061641 @default.
- W3045647619 cites W2088226047 @default.
- W3045647619 cites W2093265335 @default.
- W3045647619 cites W2095842646 @default.
- W3045647619 cites W2101593968 @default.
- W3045647619 cites W2102481302 @default.
- W3045647619 cites W2108285359 @default.
- W3045647619 cites W2110551415 @default.
- W3045647619 cites W2111115182 @default.
- W3045647619 cites W2111581388 @default.
- W3045647619 cites W2119060770 @default.
- W3045647619 cites W2121562925 @default.
- W3045647619 cites W2121895929 @default.
- W3045647619 cites W2126662293 @default.
- W3045647619 cites W2127287358 @default.
- W3045647619 cites W2130839195 @default.
- W3045647619 cites W2133920756 @default.
- W3045647619 cites W2137676811 @default.
- W3045647619 cites W2138512826 @default.
- W3045647619 cites W2142787149 @default.
- W3045647619 cites W2148797284 @default.
- W3045647619 cites W2153274422 @default.
- W3045647619 cites W2162011385 @default.
- W3045647619 cites W2168938595 @default.
- W3045647619 cites W2170082200 @default.
- W3045647619 cites W2171955717 @default.
- W3045647619 cites W2208203352 @default.
- W3045647619 cites W2234844573 @default.
- W3045647619 cites W2317310859 @default.
- W3045647619 cites W2343173833 @default.
- W3045647619 cites W2345198528 @default.
- W3045647619 cites W2345388732 @default.
- W3045647619 cites W2397609778 @default.
- W3045647619 cites W2402258526 @default.
- W3045647619 cites W2463036497 @default.
- W3045647619 cites W2469295414 @default.
- W3045647619 cites W2511851433 @default.
- W3045647619 cites W2551556495 @default.
- W3045647619 cites W2568498246 @default.
- W3045647619 cites W2584785513 @default.
- W3045647619 cites W2587816047 @default.
- W3045647619 cites W2600461071 @default.
- W3045647619 cites W2612637790 @default.
- W3045647619 cites W2613791735 @default.
- W3045647619 cites W2626324408 @default.