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Enhancing Activity Prediction Models in Drug Discovery with the Ability
  to Understand Human Language
v1v2 (latest)

Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language

International Conference on Machine Learning (ICML), 2023
6 March 2023
Philipp Seidl
Andreu Vall
Sepp Hochreiter
Günter Klambauer
ArXiv (abs)PDFHTMLHuggingFace (2 upvotes)Github (113★)

Papers citing "Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language"

14 / 14 papers shown
AssayMatch: Learning to Select Data for Molecular Activity Models
AssayMatch: Learning to Select Data for Molecular Activity Models
Vincent Fan
Regina Barzilay
132
1
0
20 Nov 2025
MolPILE - large-scale, diverse dataset for molecular representation learning
MolPILE - large-scale, diverse dataset for molecular representation learning
Jakub Adamczyk
Jakub Poziemski
Franciszek Job
Mateusz Król
Maciej Makowski
AI4CE
179
0
0
22 Sep 2025
A Dataset for Distilling Knowledge Priors from Literature for Therapeutic Design
A Dataset for Distilling Knowledge Priors from Literature for Therapeutic Design
Haydn Thomas Jones
Natalie Maus
Josh Magnus Ludan
Maggie Ziyu Huan
Jiaming Liang
...
Z. Ives
Yoseph Barash
Cesar de la Fuente-Nunez
Jacob R. Gardner
Mark Yatskar
220
2
0
14 Aug 2025
Benchmarking Pretrained Molecular Embedding Models For Molecular Representation Learning
Benchmarking Pretrained Molecular Embedding Models For Molecular Representation Learning
Mateusz Praski
J. Adamczyk
Wojciech Czech
303
12
0
08 Aug 2025
Assay2Mol: large language model-based drug design using BioAssay context
Assay2Mol: large language model-based drug design using BioAssay context
Yifan Deng
Spencer S. Ericksen
Anthony Gitter
241
3
0
16 Jul 2025
MixMin: Finding Data Mixtures via Convex Minimization
MixMin: Finding Data Mixtures via Convex Minimization
Anvith Thudi
Evianne Rovers
Yangjun Ruan
Tristan Thrush
Chris J. Maddison
467
4
0
14 Feb 2025
MolecularGPT: Open Large Language Model (LLM) for Few-Shot Molecular
  Property Prediction
MolecularGPT: Open Large Language Model (LLM) for Few-Shot Molecular Property Prediction
Yuyan Liu
Sirui Ding
Sheng Zhou
Wenqi Fan
Qiaoyu Tan
244
31
0
18 Jun 2024
Entropy-Reinforced Planning with Large Language Models for Drug Discovery
Entropy-Reinforced Planning with Large Language Models for Drug Discovery
Xuefeng Liu
Chong Liu
Peng Ding
Songhao Jiang
Rick L. Stevens
463
7
0
11 Jun 2024
SysCaps: Language Interfaces for Simulation Surrogates of Complex Systems
SysCaps: Language Interfaces for Simulation Surrogates of Complex Systems
Patrick Emami
Zhaonan Li
Saumya Sinha
Truc Nguyen
609
4
0
30 May 2024
Leveraging Biomolecule and Natural Language through Multi-Modal Learning: A Survey
Leveraging Biomolecule and Natural Language through Multi-Modal Learning: A Survey
Qizhi Pei
Lijun Wu
Ran Bi
Jinhua Zhu
Yue Wang
Guoqing Liu
Tao Qin
Lijun Wu
Rui Yan
AI4CE
531
25
0
03 Mar 2024
ChemReasoner: Heuristic Search over a Large Language Model's Knowledge
  Space using Quantum-Chemical Feedback
ChemReasoner: Heuristic Search over a Large Language Model's Knowledge Space using Quantum-Chemical Feedback
Henry W Sprueill
Carl Edwards
Khushbu Agarwal
Mariefel V. Olarte
Udishnu Sanyal
Conrad Johnston
Hongbin Liu
Heng Ji
Sutanay Choudhury
LRM
509
19
0
15 Feb 2024
MolCA: Molecular Graph-Language Modeling with Cross-Modal Projector and
  Uni-Modal Adapter
MolCA: Molecular Graph-Language Modeling with Cross-Modal Projector and Uni-Modal Adapter
Zhiyuan Liu
Changhao Nai
Yancheng Luo
Hao Fei
Yixin Cao
Kenji Kawaguchi
Xiang Wang
Tat-Seng Chua
455
151
0
19 Oct 2023
Bi-level Contrastive Learning for Knowledge-Enhanced Molecule
  Representations
Bi-level Contrastive Learning for Knowledge-Enhanced Molecule RepresentationsAAAI Conference on Artificial Intelligence (AAAI), 2023
Pengcheng Jiang
Cao Xiao
Tianfan Fu
Jimeng Sun
473
7
0
02 Jun 2023
Computational modeling of semantic change
Computational modeling of semantic changeConference of the European Chapter of the Association for Computational Linguistics (EACL), 2023
Nina Tahmasebi
Haim Dubossarsky
363
8
0
13 Apr 2023
1
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