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drugdiscovery.net
drugdiscovery.net
2026
‘Artificial intelligence in drug discovery — what it is, where we stand and the path forward’original ↗
7 Aug 2026
2025
‘Artificial Intelligence in Drug Discovery: The Six Circles of Hell’ – Slides of ‘AI in Chemistry’ 2025 Meetingoriginal ↗
23 Sept 2025
The ‘Google Co-Scientist’ Hasn’t (Yet) Lead to ‘Breakthroughs’ – A Closer Look at Its Scientific Validationoriginal ↗
20 Feb 2025
2024
8 Aug 2024
2023
2022
3 Sept 2022
2021
How to Predict Absolute Likelihoods of Ligand-Target Bioactivity, and How to Take Experimental Noise Into Account During Model Generation? An Interview With the Authorsoriginal ↗
17 Aug 2021
Comparison of Structure- and Ligand-Based Scoring Functions for Deep Generative Models, A GPCR Case Study: Interview With the Authororiginal ↗
20 May 2021
Artificial Intelligence in Drug Discovery – What is Realistic, What are Illusions? (Parts 1 and 2; Pinned)original ↗
22 Jan 2021
2020
16 Oct 2020
Knowledge-Primed Neural Networks Enable Biologically Interpretable Deep Learning on Single-Cell Sequencing Data: Interview With the Authororiginal ↗
15 Sept 2020
Will Robotics, AI and Cloud Computing In Chemical Synthesis Save Drug Discovery? A Closer Lookoriginal ↗
9 Sept 2020
4 Sept 2020
Special Issue on Applications of Machine Learning and Artificial Intelligence in NMR – Invitation to Contributeoriginal ↗
20 Aug 2020
Assessing the Frontier: Active Learning, Model Accuracy, and Multi-Objective Candidate Discovery and Optimization: Interview with the Authororiginal ↗
18 Aug 2020
Programme Online, Registration Open: Cambridge Cheminformatics Meeting, 2 September 2020 (on Zoom, open to all)original ↗
12 Aug 2020
Identification of Intrinsic Drug Resistance and its Biomarkers in High-Throughput Pharmacogenomic and CRISPR Screens: Interview With the Authororiginal ↗
10 Aug 2020
In Silico Toxicology Network Meeting, 30 September 2020 – Final Programme & Job Board Online!original ↗
7 Aug 2020
Chemical Space Exploration: How Genetic Algorithms Find the Needle in the Haystack. Interview with the Authororiginal ↗
4 Aug 2020
Invitation: Special Issue on ‘Artificial Intelligence in Drug Discovery’ in Expert Opinion on Drug Discoveryoriginal ↗
3 Aug 2020
15 Jun 2020
‘In Silico Toxicology’ Network Meeting 2020 – 30 September 2020, on Zoom, Free and Open to Alloriginal ↗
11 Jun 2020
2 Apr 2020
2019
So did ‘AI’ just discover its first drug? Comment on “Deep learning enables rapid identification of potent DDR1 kinase inhibitors”original ↗
2 Sept 2019
24 Jul 2019