Search

Energy

Working Paper

HyStor: An Experimental Database of Hydrogen Storage Properties for Various Metal Alloy Classes

Nikhil Wilson, Ashwini D Verma, Piyush Ranjan Maharana, Ameeya Bhusan Sahoo, Kavita Joshi

Version 1 posted 22 April 2024

191

Downloads

Catalysis

Working Paper

Implementation of an Open Chemistry Knowledge Base with a Semantic Wiki

Charlotte Neidiger, Tarek Saier, Kai Kühn, Victor Larignon, Michael Färber, Claudia Bizzarri, Helena Šimek Tosino, Laura Holzhauer, Michael Erdmann, An Nguyen, Dean Harvey, Pierre Tremouilhac, Claudia Kramer, Daniel Hansch, Nicole Jung, Stefan Bräse

Version 1 posted 31 May 2024

155

Downloads

1

Citations

Analytical Chemistry

Working Paper

Identification of known natural products by querying a carbon-13 nuclear magnetic resonance database — an assessment.

Jean-Marc Nuzillard

Version 1 posted 13 June 2023

231

Downloads

Biological and Medicinal Chemistry

Working Paper

One Molecular Fingerprint to Rule them All: Drugs, Biomolecules, and the Metabolome

Alice Capecchi, Daniel Probst, Jean-Louis Reymond

Version 1 posted 19 March 2020

1,210

Downloads

Theoretical and Computational Chemistry

Working Paper

Modelling of framework materials at multiple scales: current practices and open questions

Guillaume Fraux, Siwar Chibani, François-Xavier Coudert

Version 3 posted 18 February 2019

1,464

Downloads

Biological and Medicinal Chemistry

Working Paper

PubChem and ChEMBL Beyond Lipinski

Alice Capecchi, Mahendra Awale, Daniel Probst, Jean-Louis Reymond

Version 2 posted 15 February 2019

1,386

Downloads

Agriculture and Food Chemistry

Working Paper

Classifying Natural Products from Plants, Fungi or Bacteria using the COCONUT Database and Machine Learning

Alice Capecchi, Jean-Louis Reymond

Version 2 posted 05 October 2021

645

Downloads

Theoretical and Computational Chemistry

Working Paper

Statistics and Bias-Free Sampling of Reaction Mechanisms from Reaction Network Models

Dmitrij Rappoport

Version 2 posted 22 May 2023

441

Downloads

1

Citations

Biological and Medicinal Chemistry

Working Paper

Opening up Connectivity Between Documents, Structures and Bioactivity

Christopher Southan

Version 1 posted 20 November 2019

449

Downloads

Biological and Medicinal Chemistry

Working Paper

Challenges of Connecting Chemistry to Pharmacology: Perspectives from Curating the IUPHAR/BPS Guide to PHARMACOLOGY

Christopher Southan, Joanna L Sharman, Elena Faccenda, Adam J Pawson, Simon D Harding, Jamie A Davies

Version 1 posted 03 May 2018

923

Downloads

Refine Search

17 results in Databases in Keywords: Databases

HyStor: An Experimental Database of Hydrogen Storage Properties for Various Metal Alloy Classes

Implementation of an Open Chemistry Knowledge Base with a Semantic Wiki

Identification of known natural products by querying a carbon-13 nuclear magnetic resonance database — an assessment.

One Molecular Fingerprint to Rule them All: Drugs, Biomolecules, and the Metabolome

Modelling of framework materials at multiple scales: current practices and open questions

PubChem and ChEMBL Beyond Lipinski

Classifying Natural Products from Plants, Fungi or Bacteria using the COCONUT Database and Machine Learning

Statistics and Bias-Free Sampling of Reaction Mechanisms from Reaction Network Models

Opening up Connectivity Between Documents, Structures and Bioactivity

Challenges of Connecting Chemistry to Pharmacology: Perspectives from Curating the IUPHAR/BPS Guide to PHARMACOLOGY

17 results in Keywords: Databases