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Artificial Intelligence in Drug Discovery: Applications and Techniques

9 June 2021

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Papers citing "Artificial Intelligence in Drug Discovery: Applications and Techniques"

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Title
SwiftDossier: Tailored Automatic Dossier for Drug Discovery with LLMs and Agents Gabriele Fossi Youssef Boulaimen Leila Outemzabet Nathalie Jeanray Stephane Gerart Sebastien Vachenc Joanna Giemza Salvatore Raieli 65 2 0 24 Sep 2024
Adapting Differential Molecular Representation with Hierarchical Prompts for Multi-label Property Prediction Linjia Kang Songhua Zhou Shuyan Fang Shichao Liu Wen Zhang AI4CE 103 4 0 29 May 2024
A Review on Fragment-based De Novo 2D Molecule Generation Sergei Voloboev VLM 68 2 0 08 May 2024
Transformers for molecular property prediction: Lessons learned from the past five years Afnan Sultan Jochen Sieg M. Mathea Andrea Volkamer AI4CE 68 12 0 05 Apr 2024
Mol-AIR: Molecular Reinforcement Learning with Adaptive Intrinsic Rewards for Goal-directed Molecular Generation Jinyeong Park Jaegyoon Ahn Jonghwan Choi Jibum Kim 83 4 0 29 Mar 2024
When SMILES have Language: Drug Classification using Text Classification Methods on Drug SMILES Strings Azmine Toushik Wasi vSerbetar Karlo Raima Islam Taki Hasan Rafi Dong-Kyu Chae 59 1 0 03 Mar 2024
An Evaluation of Large Language Models in Bioinformatics Research Hengchuang Yin Zhonghui Gu Fanhao Wang Yiparemu Abuduhaibaier Yanqiao Zhu Xinming Tu Xian-Sheng Hua Xiao Luo Yizhou Sun LM&MA 80 8 0 21 Feb 2024
De novo Drug Design using Reinforcement Learning with Multiple GPT Agents Xiuyuan Hu Guoqing Liu Yang Zhao Hao Zhang 76 22 0 21 Dec 2023
RetroOOD: Understanding Out-of-Distribution Generalization in Retrosynthesis Prediction Yemin Yu Luotian Yuan Ying Wei Hanyu Gao Xinhai Ye Zhihua Wang Leilei Gan OOD 68 3 0 18 Dec 2023
From Molecules to Materials: Pre-training Large Generalizable Models for Atomic Property Prediction Nima Shoghi Adeesh Kolluru John R. Kitchin Zachary W. Ulissi C. L. Zitnick Brandon M. Wood AI4CE 94 37 0 25 Oct 2023
Explainable Artificial Intelligence for Drug Discovery and Development -- A Comprehensive Survey R. Alizadehsani Solomon Sunday Oyelere Sadiq Hussain Rene Ripardo Calixto V. H. C. de Albuquerque M. Roshanzamir Mohamed Rahouti Senthil Kumar Jagatheesaperumal 88 23 0 21 Sep 2023
Explainable AI for clinical risk prediction: a survey of concepts, methods, and modalities Munib Mesinovic Peter Watkinson Ting Zhu FaML 74 3 0 16 Aug 2023
A Semi-Automated Solution Approach Recommender for a Given Use Case: a Case Study for AI/ML in Oncology via Scopus and OpenAI D. Kılıç Alex Elkjær Vasegaard Aurélien Desoeuvres Peter Nielsen 61 1 0 10 Jul 2023
ALMERIA: Boosting pairwise molecular contrasts with scalable methods Rafael Mena Yedra J. L. Redondo H. Sánchez P. M. Ortigosa 48 0 0 28 Apr 2023
Deep Learning Methods for Small Molecule Drug Discovery: A Survey Wenhao Hu Yingying Liu Xuanyu Chen Wenhao Chai Hangyue Chen Hongwei Wang Gaoang Wang 123 11 0 01 Mar 2023
Unraveling Key Elements Underlying Molecular Property Prediction: A Systematic Study Jianyuan Deng Zhibo Yang Hehe Wang Iwao Ojima Dimitris Samaras Fusheng Wang 122 1 0 26 Sep 2022
DeepProphet2 -- A Deep Learning Gene Recommendation Engine Daniel Brambilla Davide Giacomini Luca Muscarnera Andrea Mazzoleni 67 1 0 03 Aug 2022
Learning to Discover Medicines T. Nguyen Thin Nguyen T. Tran 79 1 0 14 Feb 2022
DrugOOD: Out-of-Distribution (OOD) Dataset Curator and Benchmark for AI-aided Drug Discovery -- A Focus on Affinity Prediction Problems with Noise Annotations Yuanfeng Ji Lu Zhang Jiaxiang Wu Bing Wu Long-Kai Huang ... Ping Luo Shuigeng Zhou Junzhou Huang Peilin Zhao Yatao Bian OOD 130 75 0 24 Jan 2022
An In-depth Summary of Recent Artificial Intelligence Applications in Drug Design Yi Zhang AI4CE 78 6 0 10 Oct 2021
Hybrid quantum-classical machine learning for generative chemistry and drug design A. I. Gircha A. S. Boev K. Avchaciov P. Fedichev A. Fedorov AI4CE BDL 43 31 0 26 Aug 2021