The Hitchhiker's Guide to Deep Learning Driven Generative Chemistry.


Journal

ACS medicinal chemistry letters
ISSN: 1948-5875
Titre abrégé: ACS Med Chem Lett
Pays: United States
ID NLM: 101521073

Informations de publication

Date de publication:
13 Jul 2023
Historique:
received: 03 02 2023
accepted: 09 06 2023
medline: 19 7 2023
pubmed: 19 7 2023
entrez: 19 7 2023
Statut: epublish

Résumé

This microperspective covers the most recent research outcomes of artificial intelligence (AI) generated molecular structures from the point of view of the medicinal chemist. The main focus is on studies that include synthesis and experimental

Identifiants

pubmed: 37465301
doi: 10.1021/acsmedchemlett.3c00041
pmc: PMC10351082
doi:

Types de publication

Journal Article Review

Langues

eng

Pagination

901-915

Informations de copyright

© 2023 The Authors. Published by American Chemical Society.

Déclaration de conflit d'intérêts

The authors declare the following competing financial interest(s): All authors work for Insilico Medicine, a commercial artificial intelligence company.

Références

J Med Chem. 2018 Dec 13;61(23):10440-10462
pubmed: 30460842
ACS Med Chem Lett. 2019 Dec 11;11(10):1863-1868
pubmed: 33062165
J Antimicrob Chemother. 2018 Feb 1;73(2):265-279
pubmed: 29077920
Indian J Pharmacol. 2015 May-Jun;47(3):304-10
pubmed: 26069369
Farmaco. 1994 Mar;49(3):175-81
pubmed: 8043168
ChemMedChem. 2008 Oct;3(10):1503-7
pubmed: 18792903
J Med Chem. 2014 Aug 14;57(15):6668-78
pubmed: 25019388
J Cheminform. 2009 Jun 10;1(1):8
pubmed: 20298526
Nat Biotechnol. 2019 Sep;37(9):1038-1040
pubmed: 31477924
J Chem Inf Model. 2022 May 9;62(9):2151-2163
pubmed: 34723532
J Chem Inf Model. 2023 Feb 13;63(3):695-701
pubmed: 36728505
J Chem Inf Model. 2018 Jun 25;58(6):1194-1204
pubmed: 29762023
J Chem Inf Model. 2019 Mar 25;59(3):1096-1108
pubmed: 30887799
Bioorg Med Chem. 2013 Sep 1;21(17):5130-8
pubmed: 23859774
J Chem Inf Model. 2005 Sep-Oct;45(5):1237-43
pubmed: 16180900
J Chem Inf Model. 2022 Apr 25;62(8):1905-1915
pubmed: 35417149
Bioorg Med Chem Lett. 2015 Sep 15;25(18):4011-5
pubmed: 26235950
ACS Med Chem Lett. 2011 Dec 16;3(2):83-7
pubmed: 24900434
ACS Med Chem Lett. 2021 Jan 07;12(2):185-194
pubmed: 33603964
Genes (Basel). 2021 Sep 14;12(9):
pubmed: 34573394
ACS Med Chem Lett. 2019 Nov 25;11(1):29-33
pubmed: 31938459
Eur J Med Chem. 2023 Feb 5;247:115034
pubmed: 36603506
ACS Med Chem Lett. 2020 Jul 14;11(8):1496-1505
pubmed: 32832015
RSC Adv. 2022 Aug 15;12(35):22893-22901
pubmed: 36105994
Bioorg Med Chem Lett. 2009 Feb 1;19(3):1026-9
pubmed: 19097792
Mol Pharm. 2018 Oct 1;15(10):4311-4313
pubmed: 30269508
Chem Sci. 2020 Jul 22;11(31):8312-8322
pubmed: 34123096
Chem Sci. 2023 Jan 10;14(6):1443-1452
pubmed: 36794205
Bioorg Med Chem. 2013 Apr 15;21(8):2286-2297
pubmed: 23490159
Mol Pharm. 2018 Oct 1;15(10):4386-4397
pubmed: 29569445
Mutat Res. 2002 Apr 25;501(1-2):57-67
pubmed: 11934438
J Med Chem. 2022 May 26;65(10):7073-7087
pubmed: 35511951
ACS Omega. 2021 Aug 24;6(35):22945-22954
pubmed: 34514265
J Chem Inf Model. 2020 Mar 23;60(3):1175-1183
pubmed: 31904964
Oncotarget. 2017 Feb 14;8(7):10883-10890
pubmed: 28029644
J Med Chem. 2013 Nov 27;56(22):9342-50
pubmed: 24171460
Bioorg Med Chem. 2018 Oct 1;26(18):4971-4983
pubmed: 30145050
Nat Commun. 2022 Nov 12;13(1):6891
pubmed: 36371441
Bioorg Med Chem Lett. 2010 Jan 1;20(1):334-7
pubmed: 19926477
ChemMedChem. 2021 Mar 18;16(6):955-958
pubmed: 33289306
J Chem Inf Comput Sci. 2004 May-Jun;44(3):1079-87
pubmed: 15154776
Nucleic Acids Res. 2012 Jan;40(Database issue):D1100-7
pubmed: 21948594
Genomics Proteomics Bioinformatics. 2018 Feb;16(1):17-32
pubmed: 29522900
Mutat Res. 2001 Jul 1;478(1-2):153-8
pubmed: 11406179
ACS Chem Biol. 2008 Apr 18;3(4):203-6
pubmed: 18422301
Science. 2018 Dec 7;362(6419):
pubmed: 30523084
J Chem Inf Model. 2022 Apr 11;62(7):1654-1668
pubmed: 35353505
ACS Med Chem Lett. 2021 Oct 22;12(11):1689-1693
pubmed: 34795857
Mol Pharm. 2016 Jul 5;13(7):2524-30
pubmed: 27200455
J Med Chem. 2005 Jan 27;48(2):414-26
pubmed: 15658855
ACS Med Chem Lett. 2017 Feb 14;8(3):338-343
pubmed: 28337327
J Med Chem. 2019 Aug 22;62(16):7473-7488
pubmed: 31335138
Mol Pharm. 2017 Sep 5;14(9):3098-3104
pubmed: 28703000
Front Mol Biosci. 2022 Nov 25;9:1072028
pubmed: 36504722
Bioorg Med Chem Lett. 2006 Apr 15;16(8):2173-6
pubmed: 16458503
Mol Pharm. 2019 Nov 4;16(11):4451-4460
pubmed: 31589460
ACS Omega. 2020 Dec 15;5(51):32984-32994
pubmed: 33403260
Front Pharmacol. 2020 Dec 18;11:565644
pubmed: 33390943
ACS Cent Sci. 2018 Feb 28;4(2):268-276
pubmed: 29532027
J Med Chem. 2022 Jan 13;65(1):103-119
pubmed: 34821145
Bioorg Med Chem Lett. 2012 Sep 1;22(17):5694-9
pubmed: 22832309
J Med Chem. 2013 Feb 14;56(3):1160-70
pubmed: 23294348
ACS Chem Biol. 2011 Mar 18;6(3):208-17
pubmed: 21261294

Auteurs

Yan Ivanenkov (Y)

Insilico Medicine Hong Kong Ltd., Science Park East Avenue, Hong Kong Science Park, Pak Shek Kok, Hong Kong.

Bogdan Zagribelnyy (B)

Insilico Medicine AI Limited, Level 6, Unit 08, Block A, IRENA HQ Building, P.O. Box 145748, Masdar City, Abu Dhabi United Arab Emirates.

Alex Malyshev (A)

Insilico Medicine Hong Kong Ltd., Science Park East Avenue, Hong Kong Science Park, Pak Shek Kok, Hong Kong.

Sergei Evteev (S)

Insilico Medicine Hong Kong Ltd., Science Park East Avenue, Hong Kong Science Park, Pak Shek Kok, Hong Kong.

Victor Terentiev (V)

Insilico Medicine Hong Kong Ltd., Science Park East Avenue, Hong Kong Science Park, Pak Shek Kok, Hong Kong.

Petrina Kamya (P)

Insilico Medicine Canada Inc., 3710-1250 René-Lévesque Blvd W, Montreal, Quebec, Canada H3B 4W8.

Dmitry Bezrukov (D)

Insilico Medicine Hong Kong Ltd., Science Park East Avenue, Hong Kong Science Park, Pak Shek Kok, Hong Kong.

Alex Aliper (A)

Insilico Medicine AI Limited, Level 6, Unit 08, Block A, IRENA HQ Building, P.O. Box 145748, Masdar City, Abu Dhabi United Arab Emirates.

Feng Ren (F)

Insilico Medicine Shanghai Ltd., Suite 901, Tower C, Changtai Plaza, 2889 Jinke Road, Pudong New District, Shanghai 201203, China.

Alex Zhavoronkov (A)

Insilico Medicine Hong Kong Ltd., Science Park East Avenue, Hong Kong Science Park, Pak Shek Kok, Hong Kong.

Classifications MeSH