Skip to content
InChITRUST
InChI: open-source chemical structure representation algorithm
  • InChI Homepage
  • About the InChI Standard
    • InChI Source Code Repository and Working Groups
    • InChI Working Groups
    • Frequently Asked Questions
    • InChI News
    • Conferences
    • IUPAC InChI Subcommittee Members
  • About the InChI Trust
    • The InChI Trust and IUPAC
    • InChI News Page
    • InChI Board
    • inchi membership
    • InChI Members
    • InChI Team
    • How to Join
    • Contact Us
    • InChI OUTREACH
  • Resources
    • InChI Education (OER)
    • InChI Full Bibliography
    • InChI Overview – Papers & Presentations
    • Papers on InChI Development
    • Scientific Articles Mentioning InChI
    • InChI in Drug Discovery Papers
    • AI/ML Papers Using InChI
  • InChI Downloads
    • Download InChI Tools
    • InChI Resolver Download
    • Slide Decks
InChITRUST
  • Search
  • InChI Homepage
  • About the InChI Standard
    • InChI Source Code Repository and Working Groups
    • InChI Working Groups
    • Frequently Asked Questions
    • InChI News
    • Conferences
    • IUPAC InChI Subcommittee Members
  • About the InChI Trust
    • The InChI Trust and IUPAC
    • InChI News Page
    • InChI Board
    • inchi membership
    • InChI Members
    • InChI Team
    • How to Join
    • Contact Us
    • InChI OUTREACH
  • Resources
    • InChI Education (OER)
    • InChI Full Bibliography
    • InChI Overview – Papers & Presentations
    • Papers on InChI Development
    • Scientific Articles Mentioning InChI
    • InChI in Drug Discovery Papers
    • AI/ML Papers Using InChI
  • InChI Downloads
    • Download InChI Tools
    • InChI Resolver Download
    • Slide Decks
Science

Biosynthesis and Biological Profiling of Collinolactone and Semisynthetic Derivatives and MetaboIDent, a Novel Tool for Automated Dereplication

by Rudy Potenzone|Published April 14, 2023

JC Schmid
Ph D Dissertation; Mathematics and Natural Sciences. Eberhard Karls University of Tübingen.
Science Published: (Jun/2022)
DOI: https://tobias-lib.ub.uni-tuebingen.de/xmlui/bitstream/handle/10900/137947/Dissertation_Schmid.pdf?sequence=2&isAllowed=y
Abstract:

You may also like

Chemistry-informed Macromolecule Graph Representation for Similarity Computation, Unsupervised and Supervised Learning
Published February 21, 2022

Chemistry-informed Macromolecule Graph Representation for Similarity Computation, Unsupervised and Supervised Learning

InChI: a user’s perspective.
Published December 13, 2012

InChI: a user’s perspective.

Bachrach, Steven M.J Cheminform 4 (2012) 34.201210.1186/1758-2946-4-34Exchange of chemical structures between practicing chemists is essential to chemical communication. The International Chemical Identifier […]

Transformer Performance for Chemical Reactions: Analysis of Different Predictive and Evaluation Scenarios
Published April 14, 2023

Transformer Performance for Chemical Reactions: Analysis of Different Predictive and Evaluation Scenarios

GenSMILES: An enhanced validity conscious representation for inverse design of molecules
Published April 14, 2023

GenSMILES: An enhanced validity conscious representation for inverse design of molecules

Post navigation

  • Previous post Recent advances in computational modeling of MOFs: From molecular simulations to machine learning
  • Back to post list
  • Next post GenSMILES: An enhanced validity conscious representation for inverse design of molecules

© 2026 InChITRUST – All rights reserved

Powered by WP – Designed with the Customizr Theme