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Target-Specific Novel Molecules with their Recipe: Incorporating Synthesizability in the Design Process

Ikemen Mas Kot
1年前

Reactive Docking: A Computational Method for High-Throughput Virtual Screenings of Reactive Species

Ikemen Mas Kot
1年前

TeachOpenCADD goes Deep Learning: Open-source Teaching Platform Exploring Molecular DL Applications

Ikemen Mas Kot
1年前

TAGMol: Target-Aware Gradient-guided Molecule Generation

Ikemen Mas Kot
7か月前

Insights into the computer-aided drug design and discovery based on anthraquinone scaffold for cancer treatment: A systematic review

Ikemen Mas Kot
8か月前

One-step data-driven generative model via Schrödinger Bridge

Ikemen Mas Kot
8か月前

DCGAN-DTA: Predicting drug-target binding affinity with deep convolutional generative adversarial networks

Ikemen Mas Kot
8か月前

Target-aware Molecule Generation for Drug Design Using a Chemical Language Model*

Ikemen Mas Kot
11か月前

Generation of 3D molecules in pockets via a language model

Ikemen Mas Kot
1年前

De novo Drug Design using Reinforcement Learningwith Multiple GPT Agents

Ikemen Mas Kot
1年前

Preference Optimization for Molecular Language Models

Ikemen Mas Kot
1年前

LOGICS: Learning optimal generative distribution for designing de novo chemical structures

Ikemen Mas Kot
1年前

Metabophore-mediated retro-metabolic (‘MeMeReMe’) approach in drug design

Ikemen Mas Kot
1年前