249 related articles for article (PubMed ID: 26101548)
1. Open Drug Discovery Toolkit (ODDT): a new open-source player in the drug discovery field.
Wójcikowski M; Zielenkiewicz P; Siedlecki P
J Cheminform; 2015; 7():26. PubMed ID: 26101548
[TBL] [Abstract][Full Text] [Related]
2. Introduction to the BioChemical Library (BCL): An Application-Based Open-Source Toolkit for Integrated Cheminformatics and Machine Learning in Computer-Aided Drug Discovery.
Brown BP; Vu O; Geanes AR; Kothiwale S; Butkiewicz M; Lowe EW; Mueller R; Pape R; Mendenhall J; Meiler J
Front Pharmacol; 2022; 13():833099. PubMed ID: 35264967
[TBL] [Abstract][Full Text] [Related]
3. TeachOpenCADD: a teaching platform for computer-aided drug design using open source packages and data.
Sydow D; Morger A; Driller M; Volkamer A
J Cheminform; 2019 Apr; 11(1):29. PubMed ID: 30963287
[TBL] [Abstract][Full Text] [Related]
4. Development of a protein-ligand extended connectivity (PLEC) fingerprint and its application for binding affinity predictions.
Wójcikowski M; Kukiełka M; Stepniewska-Dziubinska MM; Siedlecki P
Bioinformatics; 2019 Apr; 35(8):1334-1341. PubMed ID: 30202917
[TBL] [Abstract][Full Text] [Related]
5. Performance of machine-learning scoring functions in structure-based virtual screening.
Wójcikowski M; Ballester PJ; Siedlecki P
Sci Rep; 2017 Apr; 7():46710. PubMed ID: 28440302
[TBL] [Abstract][Full Text] [Related]
6. Improved Method of Structure-Based Virtual Screening via Interaction-Energy-Based Learning.
Yasuo N; Sekijima M
J Chem Inf Model; 2019 Mar; 59(3):1050-1061. PubMed ID: 30808172
[TBL] [Abstract][Full Text] [Related]
7. Insights into Machine Learning-based Approaches for Virtual Screening in Drug Discovery: Existing Strategies and Streamlining Through FP-CADD.
Hussain W; Rasool N; Khan YD
Curr Drug Discov Technol; 2021; 18(4):463-472. PubMed ID: 32767944
[TBL] [Abstract][Full Text] [Related]
8. TeachOpenCADD 2022: open source and FAIR Python pipelines to assist in structural bioinformatics and cheminformatics research.
Sydow D; Rodríguez-Guerra J; Kimber TB; Schaller D; Taylor CJ; Chen Y; Leja M; Misra S; Wichmann M; Ariamajd A; Volkamer A
Nucleic Acids Res; 2022 Jul; 50(W1):W753-W760. PubMed ID: 35524571
[TBL] [Abstract][Full Text] [Related]
9. GPro: generative AI-empowered toolkit for promoter design.
Wang H; Du Q; Wang Y; Xu H; Wei Z; Wang X
Bioinformatics; 2024 Mar; 40(3):. PubMed ID: 38429953
[TBL] [Abstract][Full Text] [Related]
10. MMV_Im2Im: an open-source microscopy machine vision toolbox for image-to-image transformation.
Sonneck J; Zhou Y; Chen J
Gigascience; 2024 Jan; 13():. PubMed ID: 38280188
[TBL] [Abstract][Full Text] [Related]
11. The image-guided surgery toolkit IGSTK: an open source C++ software toolkit.
Enquobahrie A; Cheng P; Gary K; Ibanez L; Gobbi D; Lindseth F; Yaniv Z; Aylward S; Jomier J; Cleary K
J Digit Imaging; 2007 Nov; 20 Suppl 1(Suppl 1):21-33. PubMed ID: 17703338
[TBL] [Abstract][Full Text] [Related]
12. Cheminformatics Microservice: unifying access to open cheminformatics toolkits.
Chandrasekhar V; Sharma N; Schaub J; Steinbeck C; Rajan K
J Cheminform; 2023 Oct; 15(1):98. PubMed ID: 37845745
[TBL] [Abstract][Full Text] [Related]
13. Phylesystem: a git-based data store for community-curated phylogenetic estimates.
McTavish EJ; Hinchliff CE; Allman JF; Brown JW; Cranston KA; Holder MT; Rees JA; Smith SA
Bioinformatics; 2015 Sep; 31(17):2794-800. PubMed ID: 25940563
[TBL] [Abstract][Full Text] [Related]
14. ImagePy: an open-source, Python-based and platform-independent software package for bioimage analysis.
Wang A; Yan X; Wei Z
Bioinformatics; 2018 Sep; 34(18):3238-3240. PubMed ID: 29718132
[TBL] [Abstract][Full Text] [Related]
15. DrugEx: Deep Learning Models and Tools for Exploration of Drug-Like Chemical Space.
Šícho M; Luukkonen S; van den Maagdenberg HW; Schoenmaker L; Béquignon OJM; van Westen GJP
J Chem Inf Model; 2023 Jun; 63(12):3629-3636. PubMed ID: 37272707
[TBL] [Abstract][Full Text] [Related]
16. QSAR-Co-X: an open source toolkit for multitarget QSAR modelling.
Halder AK; Dias Soeiro Cordeiro MN
J Cheminform; 2021 Apr; 13(1):29. PubMed ID: 33858509
[TBL] [Abstract][Full Text] [Related]
17. Molecular Rift: Virtual Reality for Drug Designers.
Norrby M; Grebner C; Eriksson J; Boström J
J Chem Inf Model; 2015 Nov; 55(11):2475-84. PubMed ID: 26558887
[TBL] [Abstract][Full Text] [Related]
18. GenUI: interactive and extensible open source software platform for de novo molecular generation and cheminformatics.
Sicho M; Liu X; Svozil D; van Westen GJP
J Cheminform; 2021 Sep; 13(1):73. PubMed ID: 34563271
[TBL] [Abstract][Full Text] [Related]
19. Pydpiper: a flexible toolkit for constructing novel registration pipelines.
Friedel M; van Eede MC; Pipitone J; Chakravarty MM; Lerch JP
Front Neuroinform; 2014; 8():67. PubMed ID: 25126069
[TBL] [Abstract][Full Text] [Related]
20. Indexing Ultrafast Shape-Based Descriptors in MongoDB to Identify TLR4 Pathway Agonists.
Polyakov VR; Alexandrov V; Maderna A; Bajjuri K; Li X; Zhou S
J Chem Inf Model; 2022 May; 62(10):2446-2455. PubMed ID: 35522137
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]