Search

Theoretical and Computational Chemistry

Working Paper

RanDepict - Random Chemical Structure Depiction Generator

Henning Otto Brinkhaus, Kohulan Rajan, Achim Zielesny, Christoph Steinbeck

Version 1 posted 01 March 2022

379

Downloads

1

Citations

Biological and Medicinal Chemistry

Working Paper

Scaffold Generator - A Java library implementing molecular scaffold functionalities in the Chemistry Development Kit (CDK)

Jonas Schaub, Julian Zander, Achim Zielesny, Christoph Steinbeck

Version 2 posted 26 October 2022

602

Downloads

Theoretical and Computational Chemistry

Working Paper

DECIMER.ai - An open platform for automated optical chemical structure identification, segmentation and recognition in scientific publications

Kohulan Rajan, Henning Otto Brinkhaus, M. Isabel Agea, Achim Zielesny, Christoph Steinbeck

Version 1 posted 20 February 2023

1,027

Downloads

1

Citations

Theoretical and Computational Chemistry

Review

Open data and algorithms for open science in AI-driven molecular informatics

Henning Otto Brinkhaus, Kohulan Rajan, Jonas Schaub, Achim Zielesny, Christoph Steinbeck

Version 2 posted 11 January 2023

774

Downloads

Theoretical and Computational Chemistry

Working Paper

MORTAR – A Rich Client Application for in silico Molecule Fragmentation

Felix Bänsch, Jonas Schaub, Betül Sevindik, Samuel Behr, Julian Zander, Christoph Steinbeck, Achim Zielesny

Version 2 posted 01 December 2022

315

Downloads

Theoretical and Computational Chemistry

Working Paper

Surge - A Fast Open-Source Chemical Graph Generator

Brendan D. McKay, Mehmet Aziz Yirik, Christoph Steinbeck

Version 1 posted 08 December 2021

627

Downloads

2

Citations

Analytical Chemistry

Working Paper

DECIMER Segmentation - Automated Extraction of Chemical Structure Depictions from Scientific Literature

Kohulan Rajan, Henning Otto brinkhaus, Maria Sorokina, Achim Zielesny, Christoph Steinbeck

Version 2 posted 17 February 2021

511

Downloads

Theoretical and Computational Chemistry

Working Paper

STOUT: SMILES to IUPAC Names Using Neural Machine Translation

Kohulan Rajan, Achim Zielesny, Christoph Steinbeck

Version 2 posted 23 March 2021

2,448

Downloads

Analytical Chemistry

Working Paper

MAYGEN - an Open-Source Chemical Structure Generator for Constitutional Isomers Based on the Orderly Generation Principle

Mehmet Aziz Yirik, Maria Sorokina, Christoph Steinbeck

Version 2 posted 03 May 2021

736

Downloads

Theoretical and Computational Chemistry

Working Paper

DECIMER - Hand-drawn molecule images dataset

Henning Otto Brinkhaus, Achim Zielesny, Christoph Steinbeck, Kohulan Rajan

Version 1 posted 13 April 2022

262

Downloads

Refine Search

18 results in Christoph Steinbeck in Authors: Christoph Steinbeck

RanDepict - Random Chemical Structure Depiction Generator

Scaffold Generator - A Java library implementing molecular scaffold functionalities in the Chemistry Development Kit (CDK)

DECIMER.ai - An open platform for automated optical chemical structure identification, segmentation and recognition in scientific publications

Open data and algorithms for open science in AI-driven molecular informatics

MORTAR – A Rich Client Application for in silico Molecule Fragmentation

Surge - A Fast Open-Source Chemical Graph Generator

DECIMER Segmentation - Automated Extraction of Chemical Structure Depictions from Scientific Literature

STOUT: SMILES to IUPAC Names Using Neural Machine Translation

MAYGEN - an Open-Source Chemical Structure Generator for Constitutional Isomers Based on the Orderly Generation Principle

DECIMER - Hand-drawn molecule images dataset

18 results in Authors: Christoph Steinbeck