ChatGPT in Drug Discovery: A Case Study on Anti-Cocaine Addiction Drug Development with Chatbots
Rui Wang, Hongsong Feng, Guo-Wei Wei

TL;DR
This paper demonstrates how ChatGPT can be used as an innovative AI tool to assist researchers in designing and developing anti-cocaine addiction drugs, highlighting a new collaborative approach in drug discovery.
Contribution
It introduces a novel application of ChatGPT as a virtual guide in drug discovery, specifically for generating drug-like molecules targeting cocaine addiction.
Findings
ChatGPT effectively guides the design of drug-like molecules.
AI-human collaboration enhances drug development strategies.
The approach accelerates the identification of potential drug candidates.
Abstract
The birth of ChatGPT, a cutting-edge language model-based chatbot developed by OpenAI, ushered in a new era in AI. However, due to potential pitfalls, its role in rigorous scientific research is not clear yet. This paper vividly showcases its innovative application within the field of drug discovery. Focused specifically on developing anti-cocaine addiction drugs, the study employs GPT-4 as a virtual guide, offering strategic and methodological insights to researchers working on generative models for drug candidates. The primary objective is to generate optimal drug-like molecules with desired properties. By leveraging the capabilities of ChatGPT, the study introduces a novel approach to the drug discovery process. This symbiotic partnership between AI and researchers transforms how drug development is approached. Chatbots become facilitators, steering researchers towards innovative…
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Taxonomy
MethodsMulti-Head Attention · Attention Is All You Need · Adam · Softmax · Label Smoothing · Absolute Position Encodings · Position-Wise Feed-Forward Layer · Layer Normalization · Linear Layer · Residual Connection
