Cheminformatics

The Next Era: Deep Learning in Pharmaceutical Research

Sean Ekins

Citations: 236 • 2016

Ultrahigh-Throughput Experimentation for Information-Rich Chemical Synthesis

Babak Mahjour, Yuning Shen, Tim Cernak

Citations: 114 • 2021

Automatic discovery and optimization of chemical processes

Claudia Houben, Alexei A. Lapkin

Citations: 108 • 2015

A high-throughput experimentation platform for data-driven discovery in electrochemistry

Dian‐Zhao Lin, К К Пан, Yuyin Li, Charles B. Musgrave, Lingyu Zhang, Krish N. Jayarapu, Tianchen Li, Jasmine Vy Tran, William A. Goddard, Zhengtang Luo, Yayuan Liu

Citations: 38 • 2025

Modern analytical approaches to high-throughput drug discovery

A. Gómez‐Hens, M.P. Aguilar-Caballos

Citations: 33 • 2007

Of possible cheminformatics futures

Tudor I. Oprea, Olivier Taboureau, Cristian Bologa

Citations: 13 • 2011

Applications of Evolutionary Computation in Drug Design

Valerie J. Gillet

Citations: 13 • 2004

Development of an Integrated Informatics Toolbox: HT Kinetic and Virtual Screening

David Farrusseng, Frédèric Clerc, C. Mirodatos, François Gilardoni, Joris Thybaut, P. Balasubramaniam, G.B. Marin

Citations: 13 • 2007

Convergence of computer-aided drug discovery and artificial intelligence: Towards next-generation therapeutics

Citations: 7 • 2025

Predictive Cheminformatics in Drug Discovery: Statistical Modeling for Analysis of Micro-array and Gene Expression Data

N. Sukumar, Michael Krein, Mark J. Embrechts

Citations: 5 • 2012

Candidate anti-herpesviral drugs; mechanisms of action and resistance

Karen K. Biron

Citations: 4 • 2007

Cheminformatics aspects of high throughput screening: from robots to models: symposium summary

Yufeng Jane Tseng, Éric Martin, Cristian Bologa, Anang A. Shelat

Citations: 4 • 2013

Decoding the mystery: AI-assisted bioinformatics and functional genomics technologies in medicinal plants

Cheng Song, Irfan Ali Sabir, Wanli Zhao, Yunpeng Cao

Citations: 2 • 2025