Evidence map›Paper›PMID 41764645›Full record

ReviewChemical reviews2026

Molecular Design with Artificial Intelligence: Progress and Perspectives for Small Molecules.

Masato Sumita, Shoichi Ishida, Kazuki Yoshizoe, Ryo Tamura, Kei Terayama, Koji Tsuda

Abstract readReview
In one paragraph

Review in Chemical reviews, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

1 citing paper in PubMed.

  1. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

6 authors.

Masato SumitaRIKEN Center for Advanced Intelligence Project, Nihonbashi 1-chome Mitsui Building, 15th floor, 1-4-1 Nihonbashi, Chuo-ku, Tokyo 103-0027, Japan.ORCID 0000-0002-3506-1028
Shoichi IshidaMolNavi LLC, #402 Wizard building 1-4-3 Sengen-cho Nishi-ku, Yokohama, Kanagawa 220-0072, Japan.ORCID 0000-0002-5638-3579
Kazuki YoshizoeMolNavi LLC, #402 Wizard building 1-4-3 Sengen-cho Nishi-ku, Yokohama, Kanagawa 220-0072, Japan.ORCID 0000-0001-7715-1868
Ryo TamuraRIKEN Center for Advanced Intelligence Project, Nihonbashi 1-chome Mitsui Building, 15th floor, 1-4-1 Nihonbashi, Chuo-ku, Tokyo 103-0027, Japan.ORCID 0000-0002-0349-358X
Kei TerayamaRIKEN Center for Advanced Intelligence Project, Nihonbashi 1-chome Mitsui Building, 15th floor, 1-4-1 Nihonbashi, Chuo-ku, Tokyo 103-0027, Japan.ORCID 0000-0003-3914-248X
Koji TsudaRIKEN Center for Advanced Intelligence Project, Nihonbashi 1-chome Mitsui Building, 15th floor, 1-4-1 Nihonbashi, Chuo-ku, Tokyo 103-0027, Japan.ORCID 0000-0002-4288-1606

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Progress in chemistry has been driven by the streamlining of inverse problem-solving methods. In the history of chemistry, several revolutionary technologies have led to leaps forward: the establishment of atomistic theory in the 19th century, structural analysis by spectroscopy in the 20th century, and the development of simulation by theoretical chemistry. Currently, chemistry is about to make a significant leap forward by integrating generative artificial intelligence (AI). In 2016, deep learning techniques were introduced in this domain, leading to explosive development. This paper reviews the development path, including traditional models such as variational autoencoders and more up-to-date models such as large language models and diffusion models. We also discuss how AI can have a real impact on chemistry, including the possibilities and problems associated with synthesizing AI-generated molecules.

Identifiers

PMID41764645
PMCPMC12983210

What OpenQuestion holds

Textmetadata
LicenceCC BY-NC-ND
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.