REVIEW
|
doi:10.20944/preprints202004.0012.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
chemoinformatics; chemical space; database; LANaPD; molecular diversity; drug discovery; natural sources
Online: 2 April 2020 (04:47:13 CEST)
ARTICLE
|
doi:10.20944/preprints201811.0574.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
activity cliff; activity landscape plotter; epigenetics; docking; drug discovery; D-tools; molecular dynamics; Epi-polypharmacology; SmART; structure-activity relationships
Online: 26 November 2018 (07:14:05 CET)
ARTICLE
|
doi:10.20944/preprints202111.0125.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
artificial intelligence; de novo design; fragment-based drug discovery; HIV-1 inhibitors; pseudo natural products
Online: 8 November 2021 (09:23:49 CET)
ARTICLE
|
doi:10.20944/preprints201811.0627.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
chemical space; chemical data set; chemoinformatics; consensus diversity plot; drug discovery; molecular diversity; visualization
Online: 30 November 2018 (10:06:15 CET)
REVIEW
|
doi:10.20944/preprints201807.0116.v1
Subject:
Chemistry And Materials Science,
Medicinal Chemistry
Keywords:
chemical space; chemoinformatics; data mining; databases; DNMT inhibitors; drug discovery; epi-informatics; molecular modeling; similarity searching; virtual screening
Online: 6 July 2018 (10:04:44 CEST)